1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)phenyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]-3-(4-nitrophenyl)thiourea Formula: C21H27N5O4S2 MolecularWeight: 477.60018

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O4S2/c1-3-25(4-2)32(29,30)18-11-12-20(24-13-5-6-14-24)19(15-18)23-21(31)22-16-7-9-17(10-8-16)26(27)28/h7-12,15H,3-6,13-14H2,1-2H3,(H2,22,23,31)