2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propylsulfanyl]-1,3-benzothiazole CAS Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propylthio]-1,3-benzothiazole IUPAC Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propylthio]-1,3-benzothiazole Formula: C19H20N2O2S3 MolecularWeight: 404.5693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2S3/c22-26(23,21-11-10-15-6-1-2-7-16(15)14-21)13-5-12-24-19-20-17-8-3-4-9-18(17)25-19/h1-4,6-9H,5,10-14H2