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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-butyl]-(1,1-diketo-1,2-benzothiazol-3-yl)amine Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-15(2)19(24-12-11-16-7-3-4-8-17(16)14-24)13-22-21-18-9-5-6-10-20(18)27(25,26)23-21/h3-10,15,19H,11-14H2,1-2H3,(H,22,23)