4-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-(3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one Formula: C20H20N2OS2 MolecularWeight: 368.5156

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2OS2/c23-19(22-12-11-15-6-1-2-7-16(15)14-22)10-5-13-24-20-21-17-8-3-4-9-18(17)25-20/h1-4,6-9H,5,10-14H2