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

Systemtic Name: N-[(2S)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-(2-hydroxyphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-3-(methylthio)propyl]-2-furamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCN(CC1)C2=CC=CC=C2O)NC(=O)C3=CC=CO3

Isomeric SMILES

CSCC[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2O)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H25N3O4S/c1-28-14-8-15(21-19(25)18-7-4-13-27-18)20(26)23-11-9-22(10-12-23)16-5-2-3-6-17(16)24/h2-7,13,15,24H,8-12,14H2,1H3,(H,21,25)/t15-/m0/s1