N-[3-(azepan-1-ium-1-yl)propyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-2-benzal-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

InChI

InChI=1S/C25H29N3O2S/c29-24(26-13-8-16-28-14-6-1-2-7-15-28)20-11-12-22-21(18-20)27-25(30)23(31-22)17-19-9-4-3-5-10-19/h3-5,9-12,17-18H,1-2,6-8,13-16H2,(H,26,29)(H,27,30)/p+1