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

Systemtic Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide CAS Name: N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-3-phenylpropanamide Traditional Name: N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]-3-phenyl-propionamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC(=O)CCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-24-13-8-9-14(15(11-13)20(22)23)18-17(25)19-16(21)10-7-12-5-3-2-4-6-12/h2-6,8-9,11H,7,10H2,1H3,(H2,18,19,21,25)