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

Systemtic Name: 2-methylpropyl 3,4-dimethyl-6-[4-[(2-methylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3,4-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3,4-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[4-(o-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=CC=C1C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=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)18-10-12-19(13-11-18)26-23(29)20-9-7-6-8-16(20)3/h6-13,15,22H,14H2,1-5H3,(H,26,29)(H,27,32)