4-chloranyl-N-[(3-cyanophenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(3-cyanophenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(3-cyanophenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(3-cyanoanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(3-cyanophenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(3-cyanophenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C15H9ClN4O3S MolecularWeight: 360.77496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H9ClN4O3S/c16-12-5-4-10(7-13(12)20(22)23)14(21)19-15(24)18-11-3-1-2-9(6-11)8-17/h1-7H,(H2,18,19,21,24)