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

Systemtic Name: 2-methylpropyl 3-ethyl-4-methyl-6-[4-[(4-phenylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-4-methyl-6-[4-[(4-phenylbenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-[[oxo-(4-phenylphenyl)methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-4-methyl-6-[4-[(4-phenylbenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[4-[(4-phenylbenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C31H33N3O3S MolecularWeight: 527.67702

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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)C4=CC=CC=C4)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)C4=CC=CC=C4)C(=O)OCC(C)C)C

InChI

InChI=1S/C31H33N3O3S/c1-5-34-21(4)27(30(36)37-19-20(2)3)28(33-31(34)38)24-15-17-26(18-16-24)32-29(35)25-13-11-23(12-14-25)22-9-7-6-8-10-22/h6-18,20,28H,5,19H2,1-4H3,(H,32,35)(H,33,38)