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

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-phenyl-thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-phenyl-thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-3-phenylthiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-phenylthiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-3-phenyl-thiourea Formula: C21H28N4O2S2 MolecularWeight: 432.60262

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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=C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2S2/c1-3-25(4-2)29(26,27)18-12-13-20(24-14-8-9-15-24)19(16-18)23-21(28)22-17-10-6-5-7-11-17/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H2,22,23,28)