2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(1-propyl-4-piperidin-1-iumylidene)amino]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]acetamide Formula: C17H23N4OS2+ MolecularWeight: 363.52072

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(=NNC(=O)CSC2=NC3=CC=CC=C3S2)CC1

Isomeric SMILES

CCC[NH+]1CCC(=NNC(=O)CSC2=NC3=CC=CC=C3S2)CC1

InChI

InChI=1S/C17H22N4OS2/c1-2-9-21-10-7-13(8-11-21)19-20-16(22)12-23-17-18-14-5-3-4-6-15(14)24-17/h3-6H,2,7-12H2,1H3,(H,20,22)/p+1