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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-(2-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-(2-fluorophenyl)piperazine-1-carbothioamide Formula: C24H31FN4O2S2 MolecularWeight: 490.656943

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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=C4F)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCN(CC3)C4=CC=CC=C4F)C

InChI

InChI=1S/C24H31FN4O2S2/c1-18-6-5-7-19(2)29(18)33(30,31)21-12-10-20(11-13-21)26-24(32)28-16-14-27(15-17-28)23-9-4-3-8-22(23)25/h3-4,8-13,18-19H,5-7,14-17H2,1-2H3,(H,26,32)