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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]piperazine-1-carbothioamide Formula: C25H34N4O2S2 MolecularWeight: 486.69306

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H34N4O2S2/c1-20-7-6-8-21(2)29(20)33(30,31)24-13-11-23(12-14-24)26-25(32)28-17-15-27(16-18-28)19-22-9-4-3-5-10-22/h3-5,9-14,20-21H,6-8,15-19H2,1-2H3,(H,26,32)