3-(2-chlorophenyl)-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]propionamide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O4S/c1-25-12-7-8-14(15(10-12)21(23)24)19-17(26)20-16(22)9-6-11-4-2-3-5-13(11)18/h2-5,7-8,10H,6,9H2,1H3,(H2,19,20,22,26)