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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-[(E)-3-phenylprop-2-enyl]-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]piperazine-1-carbothioamide Formula: C27H36N4O2S2 MolecularWeight: 512.73034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O2S2/c1-22-8-6-9-23(2)31(22)35(32,33)26-15-13-25(14-16-26)28-27(34)30-20-18-29(19-21-30)17-7-12-24-10-4-3-5-11-24/h3-5,7,10-16,22-23H,6,8-9,17-21H2,1-2H3,(H,28,34)/b12-7+