methyl 5-[[4-[(2-methylsulfanylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[(2-methylsulfanylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-[(2-methylsulfanylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[2-(methylthio)anilino]-oxomethyl]-1,4-diazepan-1-yl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[(2-methylsulfanylphenyl)carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[[2-(methylthio)phenyl]carbamoyl]-1,4-diazepan-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3SC

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2CCCN(CC2)C(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C20H25N3O4S/c1-26-19(24)17-9-8-15(27-17)14-22-10-5-11-23(13-12-22)20(25)21-16-6-3-4-7-18(16)28-2/h3-4,6-9H,5,10-14H2,1-2H3,(H,21,25)