1-[[5-(2-methylprop-2-enylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[5-(2-methylprop-2-enylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[[5-(2-methylallylsulfanyl)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[[5-(2-methylprop-2-enylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[5-(2-methylprop-2-enylsulfanyl)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[[5-(2-methylallylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C19H25N4OS3+ MolecularWeight: 421.623

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(=C)CSC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H24N4OS3/c1-14(2)12-26-18-21-23(19(25)27-18)13-22-10-8-15(9-11-22)17(24)20-16-6-4-3-5-7-16/h3-7,15H,1,8-13H2,2H3,(H,20,24)/p+1