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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]azepane-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]azepane-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-1-azepanecarbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]azepane-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]azepane-1-carbothioamide Formula: C20H31N3O2S2 MolecularWeight: 409.60904

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCCCCC3)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCCCCC3)C

InChI

InChI=1S/C20H31N3O2S2/c1-16-8-7-9-17(2)23(16)27(24,25)19-12-10-18(11-13-19)21-20(26)22-14-5-3-4-6-15-22/h10-13,16-17H,3-9,14-15H2,1-2H3,(H,21,26)