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

Systemtic Name: 2,4-bis(chloranyl)-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2,4-dichloro-N-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methylsulfanyl-propyl]benzamide CAS Name: 2,4-dichloro-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2,4-dichloro-N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2,4-dichloro-N-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-(methylthio)propyl]benzamide Formula: C21H22Cl2N2O2S MolecularWeight: 437.38258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl2N2O2S/c1-28-11-9-19(24-20(26)17-7-6-16(22)12-18(17)23)21(27)25-10-8-14-4-2-3-5-15(14)13-25/h2-7,12,19H,8-11,13H2,1H3,(H,24,26)