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

Systemtic Name: 2-methylpropyl 3-ethyl-6-[3-[(2-ethylphenyl)carbamoylamino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-6-[3-[(2-ethylphenyl)carbamoylamino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-[3-[[(2-ethylanilino)-oxomethyl]amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-6-[3-[(2-ethylphenyl)carbamoylamino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-[3-[(2-ethylphenyl)carbamoylamino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H34N4O3S MolecularWeight: 494.64886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)CC)C)C(=O)OCC(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)CC)C)C(=O)OCC(C)C

InChI

InChI=1S/C27H34N4O3S/c1-6-19-11-8-9-14-22(19)29-26(33)28-21-13-10-12-20(15-21)24-23(25(32)34-16-17(3)4)18(5)31(7-2)27(35)30-24/h8-15,17,24H,6-7,16H2,1-5H3,(H,30,35)(H2,28,29,33)