4-(4-nitrophenyl)-N-[4-(phenethylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-nitrophenyl)-N-[4-(phenethylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-nitrophenyl)-N-[4-(phenethylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-nitrophenyl)-N-[4-(phenethylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-nitrophenyl)-N-[4-(phenethylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-nitrophenyl)-N-[4-(phenethylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C25H27N5O4S2 MolecularWeight: 525.64298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)NC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O4S2/c31-30(32)23-10-8-22(9-11-23)28-16-18-29(19-17-28)25(35)27-21-6-12-24(13-7-21)36(33,34)26-15-14-20-4-2-1-3-5-20/h1-13,26H,14-19H2,(H,27,35)