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

Systemtic Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-methyl-1,4-diazepane-1-carbothioamide Openeye Name: N-[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]-4-methyl-1,4-diazepane-1-carbothioamide CAS Name: N-[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]-4-methyl-1,4-diazepane-1-carbothioamide IUPAC Name: N-[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-4-methyl-1,4-diazepane-1-carbothioamide Traditional Name: N-[4-(2,6-dimethylpiperidino)sulfonylphenyl]-4-methyl-1,4-diazepane-1-carbothioamide Formula: C20H32N4O2S2 MolecularWeight: 424.62368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCCN(CC3)C)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCCN(CC3)C)C

InChI

InChI=1S/C20H32N4O2S2/c1-16-6-4-7-17(2)24(16)28(25,26)19-10-8-18(9-11-19)21-20(27)23-13-5-12-22(3)14-15-23/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,21,27)