4-(1,2-benzothiazol-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,2-benzothiazol-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(1,2-benzothiazol-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide CAS Name: 4-(1,2-benzothiazol-3-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,2-benzothiazol-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(1,2-benzothiazol-3-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperazine-1-carbothioamide Formula: C19H28N5OS2+ MolecularWeight: 406.58852

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C19H27N5OS2/c26-19(20-6-3-7-22-12-14-25-15-13-22)24-10-8-23(9-11-24)18-16-4-1-2-5-17(16)27-21-18/h1-2,4-5H,3,6-15H2,(H,20,26)/p+1