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

Systemtic Name: propan-2-yl 3-ethyl-4-methyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-ethyl-4-methyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-[(1-oxo-2-phenylbutyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-ethyl-4-methyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[4-(2-phenylbutanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)CC)C)C(=O)OC(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)CC)C)C(=O)OC(C)C

InChI

InChI=1S/C27H33N3O3S/c1-6-22(19-11-9-8-10-12-19)25(31)28-21-15-13-20(14-16-21)24-23(26(32)33-17(3)4)18(5)30(7-2)27(34)29-24/h8-17,22,24H,6-7H2,1-5H3,(H,28,31)(H,29,34)