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

Systemtic Name: (3S)-3-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Openeye Name: (3S)-3-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide CAS Name: (3S)-3-(1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-1-piperidinecarbothioamide IUPAC Name: (3S)-3-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Traditional Name: (3S)-3-(1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)piperidine-1-carbothioamide Formula: C20H29N4OS2+ MolecularWeight: 405.60046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=S)NCCC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=S)NCCC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H28N4OS2/c26-20(21-8-4-9-23-11-13-25-14-12-23)24-10-3-5-16(15-24)19-22-17-6-1-2-7-18(17)27-19/h1-2,6-7,16H,3-5,8-15H2,(H,21,26)/p+1/t16-/m0/s1