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

Systemtic Name: N-[(2S)-3-(4-butylphenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[(4-butylphenyl)sulfanylmethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-3-[(4-butylphenyl)thio]-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(4-butylphenyl)sulfanyl-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-1-[[(4-butylphenyl)thio]methyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]acetamide Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)N2CCC3=CC=CC=C3C2)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@H](C(=O)N2CCC3=CC=CC=C3C2)NC(=O)C

InChI

InChI=1S/C24H30N2O2S/c1-3-4-7-19-10-12-22(13-11-19)29-17-23(25-18(2)27)24(28)26-15-14-20-8-5-6-9-21(20)16-26/h5-6,8-13,23H,3-4,7,14-17H2,1-2H3,(H,25,27)/t23-/m1/s1