4-{(E)-[(4-Carbamothioylphenyl)methylidene]amino}benzamide
Basic information
- CAS
64547-96-2- Standard SMILES
NC(=O)c1ccc(N=Cc2ccc(C(N)=S)cc2)cc1- InChIKey
VMOHXIJYIILTGC-UHFFFAOYSA-N- Molecular formula
- C15H13N3OS
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.07793322
Names & identifiers
- Preferred name
- 4-{(E)-[(4-Carbamothioylphenyl)methylidene]amino}benzamide
- IUPAC
- 4-[(4-carbamothioylphenyl)methylideneamino]benzamide
Names & synonyms
64547-96-2NSC259250DTXSID104086994-{(E)-[(4-Carbamothioylphenyl)methylidene]amino}benzamideNSC-259250DS-006523BENZAMIDE,4-[[[4-(AMINOTHIOXOMETHYL)PHENYL]METHYLENE]AMINO]-
Database identifiers
- CAS
64547-96-2- PubChem CID
- 5140355
- DTXSID
DTXSID10408699
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 381
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Compound notes
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