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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C26H36N4O2S2/c1-21-7-6-8-22(2)30(21)34(31,32)25-13-11-24(12-14-25)27-26(33)29-19-17-28(18-20-29)16-15-23-9-4-3-5-10-23/h3-5,9-14,21-22H,6-8,15-20H2,1-2H3,(H,27,33)