N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]-3,4-dimethyl-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)C

InChI

InChI=1S/C17H17N3O4S/c1-10-4-5-12(8-11(10)2)16(21)19-17(25)18-14-7-6-13(20(22)23)9-15(14)24-3/h4-9H,1-3H3,(H2,18,19,21,25)