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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-(o-tolyl)piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-(o-tolyl)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)C4=CC=CC=C4C)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4C)C

InChI

InChI=1S/C25H34N4O2S2/c1-19-7-4-5-10-24(19)27-15-17-28(18-16-27)25(32)26-22-11-13-23(14-12-22)33(30,31)29-20(2)8-6-9-21(29)3/h4-5,7,10-14,20-21H,6,8-9,15-18H2,1-3H3,(H,26,32)