propan-2-yl 3,4-dimethyl-2-sulfanylidene-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3,4-dimethyl-2-sulfanylidene-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3,4-dimethyl-2-thioxo-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-2-sulfanylidene-6-[4-[(3,5,5-trimethyl-1-oxohexyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3,4-dimethyl-2-sulfanylidene-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-2-thioxo-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C25H37N3O3S MolecularWeight: 459.64458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OC(C)C

InChI

InChI=1S/C25H37N3O3S/c1-15(2)31-23(30)21-17(4)28(8)24(32)27-22(21)18-9-11-19(12-10-18)26-20(29)13-16(3)14-25(5,6)7/h9-12,15-16,22H,13-14H2,1-8H3,(H,26,29)(H,27,32)