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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-(2-thienylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-thiophen-2-ylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-(2-thienylsulfonyl)piperazine-1-carbothioamide Formula: C22H30N4O4S4 MolecularWeight: 542.758

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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=CS4)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C22H30N4O4S4/c1-17-5-3-6-18(2)26(17)33(27,28)20-10-8-19(9-11-20)23-22(31)24-12-14-25(15-13-24)34(29,30)21-7-4-16-32-21/h4,7-11,16-18H,3,5-6,12-15H2,1-2H3,(H,23,31)