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

Systemtic Name: N-aminocarbonyl-3-methyl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: N-carbamoyl-3-methyl-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide CAS Name: N-carbamoyl-3-methyl-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-carbamoyl-3-methyl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: N-carbamoyl-3-methyl-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]butyramide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)CN3CCCCC3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NN=C(N1C2=CC=CC=C2)CN3CCCCC3

InChI

InChI=1S/C20H28N6O2S/c1-14(2)17(18(27)22-19(21)28)29-20-24-23-16(13-25-11-7-4-8-12-25)26(20)15-9-5-3-6-10-15/h3,5-6,9-10,14,17H,4,7-8,11-13H2,1-2H3,(H3,21,22,27,28)