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

Systemtic Name: N-phenyl-1-[(5-propylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-phenyl-1-[(5-propylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-phenyl-1-[[5-(propylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-phenyl-1-[(5-propylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-phenyl-1-[[5-(propylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C18H25N4OS3+ MolecularWeight: 409.6123

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCSC1=NN(C(=S)S1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C18H24N4OS3/c1-2-12-25-17-20-22(18(24)26-17)13-21-10-8-14(9-11-21)16(23)19-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,19,23)/p+1