methyl 4-[2-(2,4-dimethylphenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(2,4-dimethylphenyl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(2,4-dimethylphenyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(2,4-dimethylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,4-dimethylphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(2,4-dimethylphenyl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S/c1-13-4-5-15(14(2)12-13)10-11-20-19(24)21-17-8-6-16(7-9-17)18(22)23-3/h4-9,12H,10-11H2,1-3H3,(H2,20,21,24)