N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC2=C(C=C1)SCC(=O)N2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(CNC(=O)C1=CC2=C(C=C1)SCC(=O)N2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H25N3O2S/c1-2-18(25-10-9-15-5-3-4-6-17(15)13-25)12-23-22(27)16-7-8-20-19(11-16)24-21(26)14-28-20/h3-8,11,18H,2,9-10,12-14H2,1H3,(H,23,27)(H,24,26)