N-[(2S)-1-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-[4-(3,4-dimethylphenyl)sulfanylanilino]-1-methyl-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-[(3,4-dimethylphenyl)thio]anilino]-1-oxopropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-(3,4-dimethylphenyl)sulfanylanilino]-1-oxopropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-keto-1-methyl-ethyl]-2-furamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C(C)NC(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)[C@H](C)NC(=O)C3=CC=CO3)C

InChI

InChI=1S/C22H22N2O3S/c1-14-6-9-19(13-15(14)2)28-18-10-7-17(8-11-18)24-21(25)16(3)23-22(26)20-5-4-12-27-20/h4-13,16H,1-3H3,(H,23,26)(H,24,25)/t16-/m0/s1