N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(diphenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(diphenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzhydryl-N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(diphenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzhydryl-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Traditional Name: 4-benzhydryl-N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]piperazine-1-carbothioamide Formula: C31H38N4O2S2 MolecularWeight: 562.78902

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H38N4O2S2/c1-24-10-9-11-25(2)35(24)39(36,37)29-18-16-28(17-19-29)32-31(38)34-22-20-33(21-23-34)30(26-12-5-3-6-13-26)27-14-7-4-8-15-27/h3-8,12-19,24-25,30H,9-11,20-23H2,1-2H3,(H,32,38)