N-[(2S)-3-methyl-1-oxidanylidene-1-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]amino]butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[[4-(3-pyridylmethylsulfanyl)phenyl]carbamoyl]propyl]furan-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-(3-pyridinylmethylthio)anilino]butan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[4-(pyridin-3-ylmethylsulfanyl)anilino]butan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[[4-(3-pyridylmethylthio)phenyl]carbamoyl]propyl]-2-furamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)SCC2=CN=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)SCC2=CN=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H23N3O3S/c1-15(2)20(25-21(26)19-6-4-12-28-19)22(27)24-17-7-9-18(10-8-17)29-14-16-5-3-11-23-13-16/h3-13,15,20H,14H2,1-2H3,(H,24,27)(H,25,26)/t20-/m0/s1