4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide Openeye Name: 4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide CAS Name: 4-[1-(2-ethylsulfonylethyl)-2-imidazolyl]-N-[3-(methylthio)phenyl]-1-piperidinecarbothioamide IUPAC Name: 4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]-N-(3-methylsulfanylphenyl)piperidine-1-carbothioamide Traditional Name: 4-[1-(2-esylethyl)imidazol-2-yl]-N-[3-(methylthio)phenyl]piperidine-1-carbothioamide Formula: C20H28N4O2S3 MolecularWeight: 452.65692

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C=CN=C1C2CCN(CC2)C(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCS(=O)(=O)CCN1C=CN=C1C2CCN(CC2)C(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C20H28N4O2S3/c1-3-29(25,26)14-13-23-12-9-21-19(23)16-7-10-24(11-8-16)20(27)22-17-5-4-6-18(15-17)28-2/h4-6,9,12,15-16H,3,7-8,10-11,13-14H2,1-2H3,(H,22,27)