[5-[[4-(2-benzamido-4-methylsulfanyl-butanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate

Systemtic Name: [5-[[4-(2-benzamido-4-methylsulfanyl-butanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl ethanoate Openeye Name: [5-[[4-(2-benzamido-4-methylsulfanyl-butanoyl)-1,4-diazepan-1-yl]methyl]-2-furyl]methyl acetate CAS Name: acetic acid [5-[[4-[2-benzamido-4-(methylthio)-1-oxobutyl]-1,4-diazepan-1-yl]methyl]-2-furanyl]methyl ester IUPAC Name: [5-[[4-(2-benzamido-4-methylsulfanylbutanoyl)-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl acetate Traditional Name: acetic acid [5-[[4-[2-benzamido-4-(methylthio)butanoyl]-1,4-diazepan-1-yl]methyl]-2-furyl]methyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OCC1=CC=C(O1)CN2CCCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H33N3O5S/c1-19(29)32-18-22-10-9-21(33-22)17-27-12-6-13-28(15-14-27)25(31)23(11-16-34-2)26-24(30)20-7-4-3-5-8-20/h3-5,7-10,23H,6,11-18H2,1-2H3,(H,26,30)