N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-methyl-N-[[4-(1-piperidyl)phenyl]methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-methyl-N-[[4-(1-piperidinyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-methyl-N-(4-piperidinobenzyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C22H27N5OS2 MolecularWeight: 441.61268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

CN(CC1=CC=C(C=C1)N2CCCCC2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C22H27N5OS2/c1-25(16-17-7-9-18(10-8-17)26-12-3-2-4-13-26)20(28)11-14-27-21(23-24-22(27)29)19-6-5-15-30-19/h5-10,15H,2-4,11-14,16H2,1H3,(H,24,29)