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

Systemtic Name: N-[(4-piperidin-1-ylcarbonylphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[[4-[oxo(1-piperidinyl)methyl]phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[4-(piperidine-1-carbonyl)benzyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C22H25N5O2S2 MolecularWeight: 455.5962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)CNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C22H25N5O2S2/c28-19(10-13-27-20(24-25-22(27)30)18-5-4-14-31-18)23-15-16-6-8-17(9-7-16)21(29)26-11-2-1-3-12-26/h4-9,14H,1-3,10-13,15H2,(H,23,28)(H,25,30)