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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C22H30N6O2S2 MolecularWeight: 474.6426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C22H30N6O2S2/c1-17-5-3-6-18(2)28(17)32(29,30)20-9-7-19(8-10-20)25-22(31)27-15-13-26(14-16-27)21-23-11-4-12-24-21/h4,7-12,17-18H,3,5-6,13-16H2,1-2H3,(H,25,31)