(2S)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: (2S)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: (2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: (2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: (2S)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: (2S)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-piperidinophenyl)propionamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N5O2S/c1-18(22(30)25-20-10-12-21(13-11-20)28-15-6-3-7-16-28)32-24-27-26-23(31)29(24)17-14-19-8-4-2-5-9-19/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H,25,30)(H,26,31)/t18-/m0/s1