3,5-bis(chloranyl)-2-methoxy-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-2-methoxy-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3,5-dichloro-2-methoxy-N-[(4-methyl-2-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,5-dichloro-2-methoxy-N-[(4-methyl-2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-2-methoxy-N-[(4-methyl-2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,5-dichloro-2-methoxy-N-[(4-methyl-2-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H13Cl2N3O4S MolecularWeight: 414.26312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13Cl2N3O4S/c1-8-3-4-12(13(5-8)21(23)24)19-16(26)20-15(22)10-6-9(17)7-11(18)14(10)25-2/h3-7H,1-2H3,(H2,19,20,22,26)