1-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C16H26ClN4O3S2+ MolecularWeight: 421.98564

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=S)NCCC[NH+]2CCOCC2)Cl

Isomeric SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)NC(=S)NCCC[NH+]2CCOCC2)Cl

InChI

InChI=1S/C16H25ClN4O3S2/c1-20(2)26(22,23)15-12-13(4-5-14(15)17)19-16(25)18-6-3-7-21-8-10-24-11-9-21/h4-5,12H,3,6-11H2,1-2H3,(H2,18,19,25)/p+1