2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C24H22N2O3S3 MolecularWeight: 482.63808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4S3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4S3)C5=CC=CS5)OC

InChI

InChI=1S/C24H22N2O3S3/c1-28-18-12-15-9-10-26(23(21-8-5-11-30-21)16(15)13-19(18)29-2)22(27)14-31-24-25-17-6-3-4-7-20(17)32-24/h3-8,11-13,23H,9-10,14H2,1-2H3