N-[(2S)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[(2S)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenoxy-ethanamide Openeye Name: N-[(1S)-1-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]-2-phenoxy-acetamide CAS Name: N-[(2S)-1-[4-(2-hydroxyphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-2-phenoxyacetamide IUPAC Name: N-[(2S)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide Traditional Name: N-[(1S)-1-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]-2-phenoxy-acetamide Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=CC=CC=C2O)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2O)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4S/c1-31-16-11-19(24-22(28)17-30-18-7-3-2-4-8-18)23(29)26-14-12-25(13-15-26)20-9-5-6-10-21(20)27/h2-10,19,27H,11-17H2,1H3,(H,24,28)/t19-/m0/s1