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

Systemtic Name: 2-methylpropyl 6-[3-[(4-tert-butylphenyl)carbonylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OCC(C)C

InChI

InChI=1S/C28H35N3O3S/c1-17(2)16-34-26(33)23-18(3)31(7)27(35)30-24(23)20-9-8-10-22(15-20)29-25(32)19-11-13-21(14-12-19)28(4,5)6/h8-15,17,24H,16H2,1-7H3,(H,29,32)(H,30,35)