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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-(4-isobutylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-[4-(2-methylpropyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-(4-isobutylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C28H40N4O4S3 MolecularWeight: 592.8366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40N4O4S3/c1-21(2)20-24-8-12-26(13-9-24)38(33,34)31-18-16-30(17-19-31)28(37)29-25-10-14-27(15-11-25)39(35,36)32-22(3)6-5-7-23(32)4/h8-15,21-23H,5-7,16-20H2,1-4H3,(H,29,37)