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

Systemtic Name: 2-methylpropyl 3,4-dimethyl-6-[3-[(4-pentylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3,4-dimethyl-6-[3-[(4-pentylbenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[[oxo-(4-pentylphenyl)methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3,4-dimethyl-6-[3-[(4-pentylbenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-amylbenzoyl)amino]phenyl]-3,4-dimethyl-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:

CCCCCC1=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

CCCCCC1=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/C29H37N3O3S/c1-6-7-8-10-21-13-15-22(16-14-21)27(33)30-24-12-9-11-23(17-24)26-25(28(34)35-18-19(2)3)20(4)32(5)29(36)31-26/h9,11-17,19,26H,6-8,10,18H2,1-5H3,(H,30,33)(H,31,36)