1-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride

Systemtic Name: 1-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Openeye Name: 1-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride CAS Name: 1-[(1,3-benzothiazol-2-ylthio)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride IUPAC Name: 1-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Traditional Name: 1-[(1,3-benzothiazol-2-ylthio)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol hydrochloride Formula: C17H17ClN2O2S2 MolecularWeight: 380.91208

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC(=C(C=C21)O)O)CSC3=NC4=CC=CC=C4S3.Cl

Isomeric SMILES

C1CNC(C2=CC(=C(C=C21)O)O)CSC3=NC4=CC=CC=C4S3.Cl

InChI

InChI=1S/C17H16N2O2S2.ClH/c20-14-7-10-5-6-18-13(11(10)8-15(14)21)9-22-17-19-12-3-1-2-4-16(12)23-17;/h1-4,7-8,13,18,20-21H,5-6,9H2;1H