2-chloranyl-N-[2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 2-chloro-N-[2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-chloro-N-[2-[3-(methylthio)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-chloro-N-[2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2-chloro-N-[2-[3-(methylthio)propanoyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CSCCC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN2O2S/c1-26-11-9-19(24)23-10-8-14-6-7-16(12-15(14)13-23)22-20(25)17-4-2-3-5-18(17)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)