N-(1,3-benzodioxol-5-ylmethyl)-4-(3-oxidanylidene-1,4-benzothiazin-4-yl)butanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-oxidanylidene-1,4-benzothiazin-4-yl)butanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide Traditional Name: 4-(3-keto-1,4-benzothiazin-4-yl)-N-piperonyl-butyramide Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N2O4S/c23-19(21-11-14-7-8-16-17(10-14)26-13-25-16)6-3-9-22-15-4-1-2-5-18(15)27-12-20(22)24/h1-2,4-5,7-8,10H,3,6,9,11-13H2,(H,21,23)