3,4,5-trimethoxy-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[(4-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(4-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O6S/c1-10-5-6-12(9-13(10)21(23)24)19-18(28)20-17(22)11-7-14(25-2)16(27-4)15(8-11)26-3/h5-9H,1-4H3,(H2,19,20,22,28)