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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C23H31N5O2S2 MolecularWeight: 473.65454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2S2/c1-18-6-5-7-19(2)28(18)32(29,30)21-11-9-20(10-12-21)25-23(31)27-16-14-26(15-17-27)22-8-3-4-13-24-22/h3-4,8-13,18-19H,5-7,14-17H2,1-2H3,(H,25,31)