1-[3-(dimethylsulfamoyl)phenyl]-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea

Systemtic Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[3-(2-oxidanylideneazepan-1-yl)propyl]thiourea Openeye Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[3-(2-oxoazepan-1-yl)propyl]thiourea CAS Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[3-(2-oxo-1-azepanyl)propyl]thiourea IUPAC Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[3-(2-oxoazepan-1-yl)propyl]thiourea Traditional Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[3-(2-ketoazepan-1-yl)propyl]thiourea Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NCCCN2CCCCCC2=O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NCCCN2CCCCCC2=O

InChI

InChI=1S/C18H28N4O3S2/c1-21(2)27(24,25)16-9-6-8-15(14-16)20-18(26)19-11-7-13-22-12-5-3-4-10-17(22)23/h6,8-9,14H,3-5,7,10-13H2,1-2H3,(H2,19,20,26)