1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]thiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-methylphenyl]-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-methyl-phenyl]-3-[[2-(2-ketoazepan-1-yl)acetyl]amino]thiourea Formula: C20H31N5O4S2 MolecularWeight: 469.62124

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NNC(=O)CN2CCCCCC2=O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NNC(=O)CN2CCCCCC2=O

InChI

InChI=1S/C20H31N5O4S2/c1-4-25(5-2)31(28,29)16-11-10-15(3)17(13-16)21-20(30)23-22-18(26)14-24-12-8-6-7-9-19(24)27/h10-11,13H,4-9,12,14H2,1-3H3,(H,22,26)(H2,21,23,30)