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

Systemtic Name: methyl 3-ethyl-4-methyl-2-sulfanylidene-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-ethyl-4-methyl-2-thioxo-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-2-sulfanylidene-6-[4-[(3,5,5-trimethyl-1-oxohexyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-4-methyl-2-sulfanylidene-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-2-thioxo-6-[4-(3,5,5-trimethylhexanoylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C24H35N3O3S MolecularWeight: 445.618

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)CC(C)CC(C)(C)C)C(=O)OC)C

InChI

InChI=1S/C24H35N3O3S/c1-8-27-16(3)20(22(29)30-7)21(26-23(27)31)17-9-11-18(12-10-17)25-19(28)13-15(2)14-24(4,5)6/h9-12,15,21H,8,13-14H2,1-7H3,(H,25,28)(H,26,31)