4-(2,3-dimethylphenyl)-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,3-dimethylphenyl)-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Openeye Name: 4-(2,3-dimethylphenyl)-N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]piperazine-1-carbothioamide CAS Name: 4-(2,3-dimethylphenyl)-N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,3-dimethylphenyl)-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Traditional Name: 4-(2,3-dimethylphenyl)-N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]piperazine-1-carbothioamide Formula: C26H36N4O2S2 MolecularWeight: 500.71964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O2S2/c1-19-7-5-10-25(22(19)4)28-15-17-29(18-16-28)26(33)27-23-11-13-24(14-12-23)34(31,32)30-20(2)8-6-9-21(30)3/h5,7,10-14,20-21H,6,8-9,15-18H2,1-4H3,(H,27,33)