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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

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