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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]azocane-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]azocane-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-1-azocanecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]azocane-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]azocane-1-carbothioamide Formula: C21H33N3O2S2 MolecularWeight: 423.63562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCCCCCC3)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCCCCCC3)C

InChI

InChI=1S/C21H33N3O2S2/c1-17-9-8-10-18(2)24(17)28(25,26)20-13-11-19(12-14-20)22-21(27)23-15-6-4-3-5-7-16-23/h11-14,17-18H,3-10,15-16H2,1-2H3,(H,22,27)