2-chloranyl-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(methylthio)propyl]benzamide Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCC2=CC=CC=C2C1)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-27-13-11-19(23-20(25)17-8-4-5-9-18(17)22)21(26)24-12-10-15-6-2-3-7-16(15)14-24/h2-9,19H,10-14H2,1H3,(H,23,25)/t19-/m0/s1