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

Systemtic Name: N-aminocarbonyl-3-methyl-2-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 2-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methyl-butanamide CAS Name: N-carbamoyl-3-methyl-2-[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: 2-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide Traditional Name: 2-[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-N-carbamoyl-3-methyl-butyramide Formula: C21H30N6O2S MolecularWeight: 430.5669

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1CC2=CC=CC=C2)CN3CCCCC3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1CC2=CC=CC=C2)CN3CCCCC3

InChI

InChI=1S/C21H30N6O2S/c1-15(2)18(19(28)23-20(22)29)30-21-25-24-17(14-26-11-7-4-8-12-26)27(21)13-16-9-5-3-6-10-16/h3,5-6,9-10,15,18H,4,7-8,11-14H2,1-2H3,(H3,22,23,28,29)