N-[1-[[5-(cyclohexylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[[5-(cyclohexylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[[5-(cyclohexylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[[5-(cyclohexylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[[5-(cyclohexylamino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[[5-(cyclohexylamino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]piperidin-1-ium-4-yl]benzamide Formula: C21H30N5OS2+ MolecularWeight: 432.6258

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC2=NN(C(=S)S2)C[NH+]3CCC(CC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H29N5OS2/c27-19(16-7-3-1-4-8-16)22-18-11-13-25(14-12-18)15-26-21(28)29-20(24-26)23-17-9-5-2-6-10-17/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,22,27)(H,23,24)/p+1