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

Systemtic Name: 2-methylpropyl 6-[4-[(4-tert-butylphenyl)carbonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C29H37N3O3S MolecularWeight: 507.68738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37N3O3S/c1-8-32-19(4)24(27(34)35-17-18(2)3)25(31-28(32)36)20-11-15-23(16-12-20)30-26(33)21-9-13-22(14-10-21)29(5,6)7/h9-16,18,25H,8,17H2,1-7H3,(H,30,33)(H,31,36)