2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamide Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]acetamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-N-[4-(4-ethoxyphenyl)-5-methyl-2-thiazolyl]acetamide IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-N-(5-methyl-4-p-phenetyl-thiazol-2-yl)acetamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CSCC(=O)N3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)CSCC(=O)N3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C25H27N3O3S2/c1-3-31-21-10-8-19(9-11-21)24-17(2)33-25(27-24)26-22(29)15-32-16-23(30)28-13-12-18-6-4-5-7-20(18)14-28/h4-11H,3,12-16H2,1-2H3,(H,26,27,29)