methyl (E)-3-(4-methylphenyl)-2-[[phenylcarbamothioyl(propan-2-yl)amino]methyl]prop-2-enoate

Systemtic Name: methyl (E)-3-(4-methylphenyl)-2-[[phenylcarbamothioyl(propan-2-yl)amino]methyl]prop-2-enoate Openeye Name: methyl (E)-2-[[isopropyl(phenylcarbamothioyl)amino]methyl]-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-[[[anilino(sulfanylidene)methyl]-propan-2-ylamino]methyl]-3-(4-methylphenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(4-methylphenyl)-2-[[phenylcarbamothioyl(propan-2-yl)amino]methyl]prop-2-enoate Traditional Name: (E)-2-[[isopropyl(phenylthiocarbamoyl)amino]methyl]-3-(p-tolyl)acrylic acid methyl ester Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\CN(C(C)C)C(=S)NC2=CC=CC=C2)/C(=O)OC

InChI

InChI=1S/C22H26N2O2S/c1-16(2)24(22(27)23-20-8-6-5-7-9-20)15-19(21(25)26-4)14-18-12-10-17(3)11-13-18/h5-14,16H,15H2,1-4H3,(H,23,27)/b19-14+