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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSCC3=NC4=CC=CC=C4S3)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSCC3=NC4=CC=CC=C4S3)C5=CC=CS5)OC

InChI

InChI=1S/C25H24N2O3S3/c1-29-19-12-16-9-10-27(25(22-8-5-11-32-22)17(16)13-20(19)30-2)24(28)15-31-14-23-26-18-6-3-4-7-21(18)33-23/h3-8,11-13,25H,9-10,14-15H2,1-2H3