(2R)-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: (2R)-2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: (2R)-2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: (2R)-2-[2-[(2-amino-2-oxoethyl)thio]anilino]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: (2R)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: (2R)-2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-N-(4-piperidinophenyl)propionamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C22H28N4O2S/c1-16(24-19-7-3-4-8-20(19)29-15-21(23)27)22(28)25-17-9-11-18(12-10-17)26-13-5-2-6-14-26/h3-4,7-12,16,24H,2,5-6,13-15H2,1H3,(H2,23,27)(H,25,28)/t16-/m1/s1