ethyl 3-[2-[ethyl-(3-methylphenyl)amino]ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 3-[2-[ethyl-(3-methylphenyl)amino]ethylcarbamothioylamino]benzoate Openeye Name: ethyl 3-[2-(N-ethyl-3-methyl-anilino)ethylcarbamothioylamino]benzoate CAS Name: 3-[[[2-(N-ethyl-3-methylanilino)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(N-ethyl-3-methylanilino)ethylcarbamothioylamino]benzoate Traditional Name: 3-[2-(N-ethyl-3-methyl-anilino)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=S)NC1=CC=CC(=C1)C(=O)OCC)C2=CC=CC(=C2)C

Isomeric SMILES

CCN(CCNC(=S)NC1=CC=CC(=C1)C(=O)OCC)C2=CC=CC(=C2)C

InChI

InChI=1S/C21H27N3O2S/c1-4-24(19-11-6-8-16(3)14-19)13-12-22-21(27)23-18-10-7-9-17(15-18)20(25)26-5-2/h6-11,14-15H,4-5,12-13H2,1-3H3,(H2,22,23,27)