N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(phenylmethyl)piperidine-1-carbothioamide

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-benzyl-N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]piperidine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-benzyl-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperidine-1-carbothioamide Traditional Name: 4-benzyl-N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]piperidine-1-carbothioamide Formula: C26H35N3O2S2 MolecularWeight: 485.705

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H35N3O2S2/c1-20-7-6-8-21(2)29(20)33(30,31)25-13-11-24(12-14-25)27-26(32)28-17-15-23(16-18-28)19-22-9-4-3-5-10-22/h3-5,9-14,20-21,23H,6-8,15-19H2,1-2H3,(H,27,32)