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

Systemtic Name: 2-methylpropyl 3-ethyl-4-methyl-6-[4-(naphthalen-2-ylcarbonylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-4-methyl-6-[4-(naphthalene-2-carbonylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-[[2-naphthalenyl(oxo)methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-4-methyl-6-[4-(naphthalene-2-carbonylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[4-(2-naphthoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C29H31N3O3S MolecularWeight: 501.63974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)OCC(C)C)C

InChI

InChI=1S/C29H31N3O3S/c1-5-32-19(4)25(28(34)35-17-18(2)3)26(31-29(32)36)21-12-14-24(15-13-21)30-27(33)23-11-10-20-8-6-7-9-22(20)16-23/h6-16,18,26H,5,17H2,1-4H3,(H,30,33)(H,31,36)