methyl 3-[(2,5-dimethylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(2,5-dimethylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(2,5-dimethylphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(2,5-dimethylanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,5-dimethylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(2,5-dimethylphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C18H18N2O3S/c1-11-7-8-12(2)15(9-11)19-18(24)20-16(21)13-5-4-6-14(10-13)17(22)23-3/h4-10H,1-3H3,(H2,19,20,21,24)