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

Systemtic Name: 1-(4-butylphenyl)-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C21H27N4O2S2+ MolecularWeight: 431.59468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C21H26N4O2S2/c1-2-3-6-16-10-12-17(13-11-16)23-21(28)24-18-7-4-8-19(15-18)29(26,27)25-20-9-5-14-22-20/h4,7-8,10-13,15H,2-3,5-6,9,14H2,1H3,(H,22,25)(H2,23,24,28)/p+1