N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]-4-phenyl-benzamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O4S/c1-28-19-12-11-17(24(26)27)13-18(19)22-21(29)23-20(25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H2,22,23,25,29)