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

Systemtic Name: 2-methylpropyl 3-ethyl-6-[4-[(4-hexylphenyl)carbonylamino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-6-[4-[(4-hexylbenzoyl)amino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-[4-[[(4-hexylphenyl)-oxomethyl]amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-6-[4-[(4-hexylbenzoyl)amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-[4-[(4-hexylbenzoyl)amino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C31H41N3O3S MolecularWeight: 535.74054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)CC)C)C(=O)OCC(C)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)CC)C)C(=O)OCC(C)C

InChI

InChI=1S/C31H41N3O3S/c1-6-8-9-10-11-23-12-14-25(15-13-23)29(35)32-26-18-16-24(17-19-26)28-27(30(36)37-20-21(3)4)22(5)34(7-2)31(38)33-28/h12-19,21,28H,6-11,20H2,1-5H3,(H,32,35)(H,33,38)