methyl 3-[(4-methyl-3-nitro-phenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(4-methyl-3-nitro-phenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-methyl-3-nitro-phenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methyl-3-nitrophenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-methyl-3-nitro-phenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O5S/c1-10-6-7-13(9-14(10)20(23)24)18-17(26)19-15(21)11-4-3-5-12(8-11)16(22)25-2/h3-9H,1-2H3,(H2,18,19,21,26)