4-chloranyl-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[N-methyl-2-[oxo-(phenethylamino)methyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[methyl-[2-(phenethylcarbamoyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[methyl-[2-(phenethylcarbamoyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C24H21ClN4O4S MolecularWeight: 496.96594

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H21ClN4O4S/c1-28(24(34)27-22(30)17-11-12-19(25)21(15-17)29(32)33)20-10-6-5-9-18(20)23(31)26-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,26,31)(H,27,30,34)