N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-1-(p-tolylsulfanylmethyl)ethyl]acetamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(4-methylphenyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylphenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-[(p-tolylthio)methyl]ethyl]acetamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)N2CCC3=CC=CC=C3C2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)N2CCC3=CC=CC=C3C2)NC(=O)C

InChI

InChI=1S/C21H24N2O2S/c1-15-7-9-19(10-8-15)26-14-20(22-16(2)24)21(25)23-12-11-17-5-3-4-6-18(17)13-23/h3-10,20H,11-14H2,1-2H3,(H,22,24)/t20-/m1/s1