N-aminocarbonyl-2-[[4-(furan-2-ylmethyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-[[4-(furan-2-ylmethyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide Openeye Name: N-carbamoyl-2-[[4-(2-furylmethyl)-5-(3-methyl-1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-3-methyl-butanamide CAS Name: N-carbamoyl-2-[[4-(2-furanylmethyl)-5-(3-methyl-1-piperidinyl)-1,2,4-triazol-3-yl]thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-[[4-(furan-2-ylmethyl)-5-(3-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-3-methylbutanamide Traditional Name: N-carbamoyl-2-[[4-(2-furfuryl)-5-(3-methylpiperidino)-1,2,4-triazol-3-yl]thio]-3-methyl-butyramide Formula: C19H28N6O3S MolecularWeight: 420.52902

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NN=C(N2CC3=CC=CO3)SC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CC1CCCN(C1)C2=NN=C(N2CC3=CC=CO3)SC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C19H28N6O3S/c1-12(2)15(16(26)21-17(20)27)29-19-23-22-18(24-8-4-6-13(3)10-24)25(19)11-14-7-5-9-28-14/h5,7,9,12-13,15H,4,6,8,10-11H2,1-3H3,(H3,20,21,26,27)