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

Systemtic Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(4-methoxyphenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(4-methoxyphenyl)thio]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-1-[[(4-methoxyphenyl)thio]methyl]ethyl]acetamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC)C(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC)C(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H24N2O3S/c1-15(24)22-20(14-27-19-9-7-18(26-2)8-10-19)21(25)23-12-11-16-5-3-4-6-17(16)13-23/h3-10,20H,11-14H2,1-2H3,(H,22,24)/t20-/m1/s1