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

Systemtic Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(4-methoxy-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O4S/c1-22-13-8-7-11(9-12(13)18(20)21)16-15(23)17-14(19)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,19,23)