2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C19H18N2OS2 MolecularWeight: 354.48902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N2OS2/c22-19(21-10-9-14-5-1-2-6-15(14)11-21)13-23-12-18-20-16-7-3-4-8-17(16)24-18/h1-8H,9-13H2