2-methylpropyl 3-ethyl-4-methyl-6-[3-[(2-methylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 3-ethyl-4-methyl-6-[3-[(2-methylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-4-methyl-6-[3-[(2-methylbenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[3-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-4-methyl-6-[3-[(2-methylbenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[3-(o-toluoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C)C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3=CC=CC=C3C)C(=O)OCC(C)C)C

InChI

InChI=1S/C26H31N3O3S/c1-6-29-18(5)22(25(31)32-15-16(2)3)23(28-26(29)33)19-11-9-12-20(14-19)27-24(30)21-13-8-7-10-17(21)4/h7-14,16,23H,6,15H2,1-5H3,(H,27,30)(H,28,33)