N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-2-phenylsulfanyl-acetamide CAS Name: N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(phenylthio)acetamide IUPAC Name: N-butyl-N-[2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-phenylsulfanylacetamide Traditional Name: N-butyl-N-[2-keto-2-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-(phenylthio)acetamide Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCCCN(CC(=O)N1CCC2=CC=CC=C2C1C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O2S/c1-3-4-15-25(24(28)18-29-21-11-6-5-7-12-21)17-23(27)26-16-14-20-10-8-9-13-22(20)19(26)2/h5-13,19H,3-4,14-18H2,1-2H3