[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone CAS Name: [4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Traditional Name: [4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone Formula: C24H20N2OS2 MolecularWeight: 416.5584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC=C(C=C3)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H20N2OS2/c27-23(26-14-13-18-5-1-2-6-20(18)15-26)19-11-9-17(10-12-19)16-28-24-25-21-7-3-4-8-22(21)29-24/h1-12H,13-16H2