1-[3-(dimethylsulfamoyl)phenyl]-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea

Systemtic Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Openeye Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea CAS Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[2-(2-pyridin-1-iumylamino)ethyl]thiourea IUPAC Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Traditional Name: 1-[3-(dimethylsulfamoyl)phenyl]-3-[2-(pyridin-1-ium-2-ylamino)ethyl]thiourea Formula: C16H22N5O2S2+ MolecularWeight: 380.50818

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NCCNC2=CC=CC=[NH+]2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)NCCNC2=CC=CC=[NH+]2

InChI

InChI=1S/C16H21N5O2S2/c1-21(2)25(22,23)14-7-5-6-13(12-14)20-16(24)19-11-10-18-15-8-3-4-9-17-15/h3-9,12H,10-11H2,1-2H3,(H,17,18)(H2,19,20,24)/p+1