2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-3-methyl-1-phenyl-butyl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-3-methyl-1-phenyl-butyl]ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-3-methyl-1-phenyl-butyl]acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-3-methyl-1-phenylbutyl]acetamide Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-[(1R)-3-methyl-1-phenyl-butyl]acetamide Formula: C23H33N5OS MolecularWeight: 427.60602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

CC(C)C[C@H](C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C23H33N5OS/c1-17(2)15-20(18-9-5-3-6-10-18)24-21(29)16-30-23-26-25-22(28(23)19-11-12-19)27-13-7-4-8-14-27/h3,5-6,9-10,17,19-20H,4,7-8,11-16H2,1-2H3,(H,24,29)/t20-/m1/s1