N-[3-[[[2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[[2-[(2-methoxyphenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[3-[[[2-[(2-methoxybenzoyl)amino]-4-methylsulfanyl-butanoyl]amino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[2-[[(2-methoxyphenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[[2-[(2-methoxybenzoyl)amino]-4-methylsulfanylbutanoyl]amino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[3-[[[4-(methylthio)-2-(o-anisoylamino)butanoyl]amino]methyl]phenyl]-2-furamide Formula: C25H27N3O5S MolecularWeight: 481.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2=CC(=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2=CC(=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C25H27N3O5S/c1-32-21-10-4-3-9-19(21)23(29)28-20(12-14-34-2)24(30)26-16-17-7-5-8-18(15-17)27-25(31)22-11-6-13-33-22/h3-11,13,15,20H,12,14,16H2,1-2H3,(H,26,30)(H,27,31)(H,28,29)