N-[(2S)-1-[(3,5-dimethylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[(3,5-dimethylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[(3,5-dimethylphenyl)carbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-(3,5-dimethylanilino)-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-(3,5-dimethylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[(3,5-dimethylphenyl)carbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CO2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC=CO2)C

InChI

InChI=1S/C18H22N2O3S/c1-12-9-13(2)11-14(10-12)19-17(21)15(6-8-24-3)20-18(22)16-5-4-7-23-16/h4-5,7,9-11,15H,6,8H2,1-3H3,(H,19,21)(H,20,22)/t15-/m0/s1