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

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenethyl-thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenethyl-thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenethylthiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenethylthiourea Traditional Name: 1-phenethyl-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C19H23N4O2S2+ MolecularWeight: 403.54152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O2S2/c24-27(25,23-18-10-5-12-20-18)17-9-4-8-16(14-17)22-19(26)21-13-11-15-6-2-1-3-7-15/h1-4,6-9,14H,5,10-13H2,(H,20,23)(H2,21,22,26)/p+1