N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Traditional Name: N-(2-morpholin-4-ium-4-ylethyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Formula: C16H24N3OS2+ MolecularWeight: 338.51126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C16H23N3OS2/c21-16(17-6-8-18-9-11-20-12-10-18)19-7-3-13-22-15-5-2-1-4-14(15)19/h1-2,4-5H,3,6-13H2,(H,17,21)/p+1