4-[4-[1H-imidazol-5-ylmethyl(phenylsulfonyl)amino]phenyl]-N-(2-methylpropyl)piperidine-1-carbothioamide

Systemtic Name: 4-[4-[1H-imidazol-5-ylmethyl(phenylsulfonyl)amino]phenyl]-N-(2-methylpropyl)piperidine-1-carbothioamide Openeye Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-isobutyl-piperidine-1-carbothioamide CAS Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-(2-methylpropyl)-1-piperidinecarbothioamide IUPAC Name: 4-[4-[benzenesulfonyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-(2-methylpropyl)piperidine-1-carbothioamide Traditional Name: 4-[4-[besyl(1H-imidazol-5-ylmethyl)amino]phenyl]-N-isobutyl-piperidine-1-carbothioamide Formula: C26H33N5O2S2 MolecularWeight: 511.70252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N1CCC(CC1)C2=CC=C(C=C2)N(CC3=CN=CN3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=S)N1CCC(CC1)C2=CC=C(C=C2)N(CC3=CN=CN3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H33N5O2S2/c1-20(2)16-28-26(34)30-14-12-22(13-15-30)21-8-10-24(11-9-21)31(18-23-17-27-19-29-23)35(32,33)25-6-4-3-5-7-25/h3-11,17,19-20,22H,12-16,18H2,1-2H3,(H,27,29)(H,28,34)