N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl-(1,1-diketo-1,2-benzothiazol-3-yl)amine Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=NS(=O)(=O)C2=CC=CC=C21)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(CNC1=NS(=O)(=O)C2=CC=CC=C21)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H23N3O2S/c1-2-17(23-12-11-15-7-3-4-8-16(15)14-23)13-21-20-18-9-5-6-10-19(18)26(24,25)22-20/h3-10,17H,2,11-14H2,1H3,(H,21,22)