4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxidanylidene-butyl]-1,4-benzothiazin-3-one Openeye Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxo-butyl]-1,4-benzothiazin-3-one CAS Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1,4-benzothiazin-3-one Traditional Name: 4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-keto-butyl]-1,4-benzothiazin-3-one Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C21H22N2O2S/c24-20(22-13-11-16-6-1-2-7-17(16)14-22)10-5-12-23-18-8-3-4-9-19(18)26-15-21(23)25/h1-4,6-9H,5,10-15H2