1-[[5-[(2-methoxyphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-N-pyridin-2-yl-piperidine-4-carboxamide

Systemtic Name: 1-[[5-[(2-methoxyphenyl)amino]-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-N-pyridin-2-yl-piperidine-4-carboxamide Openeye Name: 1-[[5-(2-methoxyanilino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-N-(2-pyridyl)piperidine-4-carboxamide CAS Name: 1-[[5-(2-methoxyanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-N-(2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 1-[[5-(2-methoxyanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide Traditional Name: 1-[[5-(o-anisidino)-2-thioxo-1,3,4-thiadiazol-3-yl]methyl]-N-(2-pyridyl)isonipecotamide Formula: C21H24N6O2S2 MolecularWeight: 456.58426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NN(C(=S)S2)CN3CCC(CC3)C(=O)NC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1NC2=NN(C(=S)S2)CN3CCC(CC3)C(=O)NC4=CC=CC=N4

InChI

InChI=1S/C21H24N6O2S2/c1-29-17-7-3-2-6-16(17)23-20-25-27(21(30)31-20)14-26-12-9-15(10-13-26)19(28)24-18-8-4-5-11-22-18/h2-8,11,15H,9-10,12-14H2,1H3,(H,23,25)(H,22,24,28)