2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(isopropylcarbamoyl)propanamide CAS Name: 2-[[4-(2-furanylmethyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: 2-[[4-(2-furfuryl)-5-piperidino-1,2,4-triazol-3-yl]thio]-N-(isopropylcarbamoyl)propionamide Formula: C19H28N6O3S MolecularWeight: 420.52902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=NN=C(N1CC2=CC=CO2)N3CCCCC3

Isomeric SMILES

CC(C)NC(=O)NC(=O)C(C)SC1=NN=C(N1CC2=CC=CO2)N3CCCCC3

InChI

InChI=1S/C19H28N6O3S/c1-13(2)20-17(27)21-16(26)14(3)29-19-23-22-18(24-9-5-4-6-10-24)25(19)12-15-8-7-11-28-15/h7-8,11,13-14H,4-6,9-10,12H2,1-3H3,(H2,20,21,26,27)