4-(4-ethanoylphenyl)-N-[4-(1-phenylethylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoylphenyl)-N-[4-(1-phenylethylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-[4-(1-phenylethylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-[4-(1-phenylethylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-[4-(1-phenylethylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-[4-(1-phenylethylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C27H30N4O3S2 MolecularWeight: 522.6821

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C27H30N4O3S2/c1-20(22-6-4-3-5-7-22)29-36(33,34)26-14-10-24(11-15-26)28-27(35)31-18-16-30(17-19-31)25-12-8-23(9-13-25)21(2)32/h3-15,20,29H,16-19H2,1-2H3,(H,28,35)