N-[(2S)-1-[3-(3,4-dimethoxyphenyl)propyl-methyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[3-(3,4-dimethoxyphenyl)propyl-methyl-amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[3-(3,4-dimethoxyphenyl)propyl-methyl-carbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[3-(3,4-dimethoxyphenyl)propyl-methylamino]-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[3-(3,4-dimethoxyphenyl)propyl-methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[3-(3,4-dimethoxyphenyl)propyl-methyl-carbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC(=C(C=C1)OC)OC)C(=O)C(CCSC)NC(=O)C2=CC=CO2

Isomeric SMILES

CN(CCCC1=CC(=C(C=C1)OC)OC)C(=O)[C@H](CCSC)NC(=O)C2=CC=CO2

InChI

InChI=1S/C22H30N2O5S/c1-24(12-5-7-16-9-10-18(27-2)20(15-16)28-3)22(26)17(11-14-30-4)23-21(25)19-8-6-13-29-19/h6,8-10,13,15,17H,5,7,11-12,14H2,1-4H3,(H,23,25)/t17-/m0/s1