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

Systemtic Name: 2-methylpropyl 3,4-dimethyl-6-[4-(2-phenylsulfanylethanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3,4-dimethyl-6-[4-[(2-phenylsulfanylacetyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[4-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3,4-dimethyl-6-[4-[(2-phenylsulfanylacetyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[4-[[2-(phenylthio)acetyl]amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C25H29N3O3S2 MolecularWeight: 483.64606

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)CSC3=CC=CC=C3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)CSC3=CC=CC=C3)C(=O)OCC(C)C

InChI

InChI=1S/C25H29N3O3S2/c1-16(2)14-31-24(30)22-17(3)28(4)25(32)27-23(22)18-10-12-19(13-11-18)26-21(29)15-33-20-8-6-5-7-9-20/h5-13,16,23H,14-15H2,1-4H3,(H,26,29)(H,27,32)