(2E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide

HCID 5337645

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Basic information

CAS: 5150-75-4
Standard SMILES: Cc1cc(C)c(NC(=S)NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1
InChIKey: SUBZQZGATBYLFQ-CMDGGOBGSA-N
Molecular formula: C18H17N3O3S
Average molar mass: 355.4 g/mol
Monoisotopic mass: 355.09906259

Names & identifiers

Preferred name: (2E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide
IUPAC: (E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide

Names & synonyms

5150-75-4(2E)-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamideN-{[(2,4-dimethyl-6-nitrophenyl)amino]carbonothioyl}-3-phenylacrylamideZINC03878130DTXSID60416704SMSF0003836STK328892AKOS005437611CB10790BIM-0008169.P001

Database identifiers

CAS: 5150-75-4
PubChem CID: 5337645
DTXSID: DTXSID60416704

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 119 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 25
Formal charge: 0
Complexity: 526

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