N-aminocarbonyl-3-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-aminocarbonyl-3-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-propanamide CAS Name: N-carbamoyl-3-[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoylpropanamide Traditional Name: 3-[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-propionamide Formula: C19H26N6O2S MolecularWeight: 402.51374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCCC(=O)NC(=O)N

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2CC3=CC=CC=C3)SCCC(=O)NC(=O)N

InChI

InChI=1S/C19H26N6O2S/c20-18(27)21-17(26)9-12-28-19-23-22-16(14-24-10-5-2-6-11-24)25(19)13-15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2,(H3,20,21,26,27)