1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(o-tolyl)thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-3-(o-tolyl)thiourea Formula: C22H30N4O2S2 MolecularWeight: 446.6292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NC3=CC=CC=C3C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NC3=CC=CC=C3C

InChI

InChI=1S/C22H30N4O2S2/c1-4-26(5-2)30(27,28)18-12-13-21(25-14-8-9-15-25)20(16-18)24-22(29)23-19-11-7-6-10-17(19)3/h6-7,10-13,16H,4-5,8-9,14-15H2,1-3H3,(H2,23,24,29)