2-chloranyl-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(methylthio)propyl]benzamide Formula: C23H27ClN2O4S MolecularWeight: 462.98948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl)OC

InChI

InChI=1S/C23H27ClN2O4S/c1-29-20-12-15-8-10-26(14-16(15)13-21(20)30-2)23(28)19(9-11-31-3)25-22(27)17-6-4-5-7-18(17)24/h4-7,12-13,19H,8-11,14H2,1-3H3,(H,25,27)