N-(phenylmethyl)-1-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperidine-4-carboxamide

Systemtic Name: N-(phenylmethyl)-1-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperidine-4-carboxamide Openeye Name: N-benzyl-1-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperidine-4-carboxamide Traditional Name: N-benzyl-1-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]isonipecotamide Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=C2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C22H25N5O2S2/c28-19(10-13-27-20(24-25-22(27)30)18-7-4-14-31-18)26-11-8-17(9-12-26)21(29)23-15-16-5-2-1-3-6-16/h1-7,14,17H,8-13,15H2,(H,23,29)(H,25,30)