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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-1,5-benzothiazepine-5-carbothioamide Formula: C17H26N3OS2+ MolecularWeight: 352.53784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3OS2/c22-17(18-7-3-8-19-10-12-21-13-11-19)20-9-4-14-23-16-6-2-1-5-15(16)20/h1-2,5-6H,3-4,7-14H2,(H,18,22)/p+1