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

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 1-p-anisyl-3-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]thiourea Formula: C19H23N4O3S2+ MolecularWeight: 419.54092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C19H22N4O3S2/c1-26-16-9-7-14(8-10-16)13-21-19(27)22-15-4-2-5-17(12-15)28(24,25)23-18-6-3-11-20-18/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,20,23)(H2,21,22,27)/p+1