methyl 4-[2-(2-methylphenyl)ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(2-methylphenyl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(o-tolyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(2-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-methylphenyl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(o-tolyl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CCNC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H20N2O2S/c1-13-5-3-4-6-14(13)11-12-19-18(23)20-16-9-7-15(8-10-16)17(21)22-2/h3-10H,11-12H2,1-2H3,(H2,19,20,23)