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

Systemtic Name: N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OC)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O5S/c1-9-6-13(21(23)24)11(18)8-12(9)19-17(27)20-16(22)10-4-5-14(25-2)15(7-10)26-3/h4-8H,1-3H3,(H2,19,20,22,27)