4-methyl-3-[(4-methylphenyl)methyl]-6-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 4-methyl-3-[(4-methylphenyl)methyl]-6-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: N-(2-isopropylphenyl)-4-methyl-6-(3-phenoxyphenyl)-3-(p-tolylmethyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 4-methyl-3-[(4-methylphenyl)methyl]-6-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 4-methyl-3-[(4-methylphenyl)methyl]-6-(3-phenoxyphenyl)-N-(2-propan-2-ylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 4-methyl-3-(4-methylbenzyl)-N-o-cumenyl-6-(3-phenoxyphenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C35H35N3O2S MolecularWeight: 561.7363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(NC2=S)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)NC5=CC=CC=C5C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(NC2=S)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)NC5=CC=CC=C5C(C)C)C

InChI

InChI=1S/C35H35N3O2S/c1-23(2)30-15-8-9-16-31(30)36-34(39)32-25(4)38(22-26-19-17-24(3)18-20-26)35(41)37-33(32)27-11-10-14-29(21-27)40-28-12-6-5-7-13-28/h5-21,23,33H,22H2,1-4H3,(H,36,39)(H,37,41)