2-[4-(3-isoquinolin-1-yloxypyrrolidin-1-yl)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[4-(3-isoquinolin-1-yloxypyrrolidin-1-yl)butyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[4-[3-(1-isoquinolyloxy)pyrrolidin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[4-[3-(1-isoquinolinyloxy)-1-pyrrolidinyl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[4-(3-isoquinolin-1-yloxypyrrolidin-1-yl)butyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[4-[3-(1-isoquinolyloxy)pyrrolidino]butyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OC2=NC=CC3=CC=CC=C32)CCCCN4C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CN(CC1OC2=NC=CC3=CC=CC=C32)CCCCN4C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C24H25N3O4S/c28-24-21-9-3-4-10-22(21)32(29,30)27(24)15-6-5-14-26-16-12-19(17-26)31-23-20-8-2-1-7-18(20)11-13-25-23/h1-4,7-11,13,19H,5-6,12,14-17H2