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

Systemtic Name: 2-methylpropyl 3,4-dimethyl-6-[3-[(4-methylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3,4-dimethyl-6-[3-[(4-methylbenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[[(4-methylphenyl)-oxomethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3,4-dimethyl-6-[3-[(4-methylbenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[3-(p-toluoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C25H29N3O3S/c1-15(2)14-31-24(30)21-17(4)28(5)25(32)27-22(21)19-7-6-8-20(13-19)26-23(29)18-11-9-16(3)10-12-18/h6-13,15,22H,14H2,1-5H3,(H,26,29)(H,27,32)