4-(2,5-dimethylphenyl)sulfonyl-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]piperazine-1-carbothioamide Formula: C26H36N4O4S3 MolecularWeight: 564.78344

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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=C(C=CC(=C4)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H36N4O4S3/c1-19-8-9-20(2)25(18-19)37(33,34)29-16-14-28(15-17-29)26(35)27-23-10-12-24(13-11-23)36(31,32)30-21(3)6-5-7-22(30)4/h8-13,18,21-22H,5-7,14-17H2,1-4H3,(H,27,35)