4-(5-chloranyl-2-methyl-phenyl)-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(5-chloranyl-2-methyl-phenyl)-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Openeye Name: 4-(5-chloro-2-methyl-phenyl)-N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]piperazine-1-carbothioamide CAS Name: 4-(5-chloro-2-methylphenyl)-N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(5-chloro-2-methylphenyl)-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Traditional Name: 4-(5-chloro-2-methyl-phenyl)-N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]piperazine-1-carbothioamide Formula: C25H33ClN4O2S2 MolecularWeight: 521.13812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN4O2S2/c1-18-7-8-21(26)17-24(18)28-13-15-29(16-14-28)25(33)27-22-9-11-23(12-10-22)34(31,32)30-19(2)5-4-6-20(30)3/h7-12,17,19-20H,4-6,13-16H2,1-3H3,(H,27,33)