1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiourea

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methyl-phenyl]thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]thiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[5-(dimethylsulfamoyl)-2-methylphenyl]thiourea Traditional Name: 1-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C20H26N5O4S3+ MolecularWeight: 496.64654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C20H25N5O4S3/c1-14-9-10-17(32(28,29)25(2)3)13-18(14)23-20(30)22-15-6-4-7-16(12-15)31(26,27)24-19-8-5-11-21-19/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,21,24)(H2,22,23,30)/p+1