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

Systemtic Name: 4-[4-[1H-imidazol-5-ylmethyl(phenylsulfonyl)amino]phenyl]-N-phenethyl-piperazine-1-carbothioamide Openeye Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-phenethyl-piperazine-1-carbothioamide CAS Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-phenethylpiperazine-1-carbothioamide Traditional Name: 4-[4-[besyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-phenethyl-piperazine-1-carbothioamide Formula: C29H32N6O2S2 MolecularWeight: 560.73338

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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)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)N(CC3=CN=CN3)S(=O)(=O)C4=CC=CC=C4)C(=S)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H32N6O2S2/c36-39(37,28-9-5-2-6-10-28)35(22-25-21-30-23-32-25)27-13-11-26(12-14-27)33-17-19-34(20-18-33)29(38)31-16-15-24-7-3-1-4-8-24/h1-14,21,23H,15-20,22H2,(H,30,32)(H,31,38)