3,5-bis(chloranyl)-4-methoxy-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-4-methoxy-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3,5-dichloro-4-methoxy-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,5-dichloro-4-methoxy-N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-4-methoxy-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,5-dichloro-4-methoxy-N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H13Cl2N3O5S MolecularWeight: 430.26252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2N3O5S/c1-25-13-4-3-9(7-12(13)21(23)24)19-16(27)20-15(22)8-5-10(17)14(26-2)11(18)6-8/h3-7H,1-2H3,(H2,19,20,22,27)