4-[4-[1H-imidazol-5-ylmethyl(phenylsulfonyl)amino]phenyl]-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-[4-[1H-imidazol-5-ylmethyl(phenylsulfonyl)amino]phenyl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-[4-[besyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-phenyl-piperazine-1-carbothioamide Formula: C27H28N6O2S2 MolecularWeight: 532.68022

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)N(CC3=CN=CN3)S(=O)(=O)C4=CC=CC=C4)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)N(CC3=CN=CN3)S(=O)(=O)C4=CC=CC=C4)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C27H28N6O2S2/c34-37(35,26-9-5-2-6-10-26)33(20-23-19-28-21-29-23)25-13-11-24(12-14-25)31-15-17-32(18-16-31)27(36)30-22-7-3-1-4-8-22/h1-14,19,21H,15-18,20H2,(H,28,29)(H,30,36)