N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-3-phenyl-propanamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-3-phenylpropanamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]-3-phenyl-propionamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O4S/c1-24-15-9-8-13(20(22)23)11-14(15)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)