N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide

HCID 796265

Basic information

Standard SMILES
N#Cc1c(NC(=S)NC(=O)c2ccccc2)sc2c1CCCC2
InChIKey
IBQJWZNNSYUOII-UHFFFAOYSA-N
Molecular formula
C17H15N3OS2
Average molar mass
341.5 g/mol

Names & identifiers

Preferred name
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
IUPAC
N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide

Names & synonyms

121746-08-5N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamideN-benzoyl-N'-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)thioureaN-((3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamothioyl)benzamideIBQJWZNNSYUOII-UHFFFAOYSA-NSMR000175582MLS000561752SCHEMBL1622732CHEMBL1409180HMS2558A17STK1634981-Benzoyl-3-(3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-thiourea
Show more names
AKOS000505333PD127762ST50235687AB00081521-01AJ-292/40175630N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-ylcarbamothioyl)-benzamideN-{[(3-cyano(4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl))amino]thioxomethyl}benza mide

Database identifiers

PubChem CID
796265
ChEMBL
CHEMBL1409180

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
125 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
23

Related reactions

5 records

Compound notes

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