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

Systemtic Name: 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-[(2S)-2-ethylhexyl]thiourea Openeye Name: 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-[(2S)-2-ethylhexyl]thiourea CAS Name: 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-[(2S)-2-ethylhexyl]thiourea IUPAC Name: 1-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-[(2S)-2-ethylhexyl]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]thiourea Formula: C19H30N4O2S2 MolecularWeight: 410.5971

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCC2

InChI

InChI=1S/C19H30N4O2S2/c1-3-5-8-15(4-2)14-21-19(26)22-16-9-6-10-17(13-16)27(24,25)23-18-11-7-12-20-18/h6,9-10,13,15H,3-5,7-8,11-12,14H2,1-2H3,(H,20,23)(H2,21,22,26)/t15-/m0/s1