methyl 3-[(2,6-dimethylphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(2,6-dimethylphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(2,6-dimethylphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(2,6-dimethylphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(2,6-dimethylphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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