2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-butan-2-yl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxidanylidene-butan-2-yl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)propyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxobutan-2-yl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxobutan-2-yl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)propyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC2=CC=CC=C2C1)N3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCC(C(=O)N1CCC2=CC=CC=C2C1)N3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H20N2O4S/c1-2-17(20(24)21-12-11-14-7-3-4-8-15(14)13-21)22-19(23)16-9-5-6-10-18(16)27(22,25)26/h3-10,17H,2,11-13H2,1H3