methyl 4-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3,5-dimethylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-dimethylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,5-dimethylbenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)C

InChI

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