methyl 4-[2-[ethyl-(3-methylphenyl)amino]ethylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-[ethyl-(3-methylphenyl)amino]ethylcarbamothioylamino]benzoate Openeye Name: methyl 4-[2-(N-ethyl-3-methyl-anilino)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(N-ethyl-3-methylanilino)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(N-ethyl-3-methylanilino)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(N-ethyl-3-methyl-anilino)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-4-23(18-7-5-6-15(2)14-18)13-12-21-20(26)22-17-10-8-16(9-11-17)19(24)25-3/h5-11,14H,4,12-13H2,1-3H3,(H2,21,22,26)