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

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]thiourea Traditional Name: 1-benzyl-3-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]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)NCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2S2/c1-3-26(4-2)30(27,28)19-12-13-21(25-14-8-9-15-25)20(16-19)24-22(29)23-17-18-10-6-5-7-11-18/h5-7,10-13,16H,3-4,8-9,14-15,17H2,1-2H3,(H2,23,24,29)