N-cyclohexyl-4-[2-(ethanethioylamino)ethyl]-N-ethynyl-3,4-dihydro-2H-thiochromene-6-carbothioamide

Systemtic Name: N-cyclohexyl-4-[2-(ethanethioylamino)ethyl]-N-ethynyl-3,4-dihydro-2H-thiochromene-6-carbothioamide Openeye Name: N-cyclohexyl-4-[2-(ethanethioylamino)ethyl]-N-ethynyl-thiochromane-6-carbothioamide CAS Name: N-cyclohexyl-N-ethynyl-4-[2-(1-sulfanylideneethylamino)ethyl]-3,4-dihydro-2H-1-benzothiopyran-6-carbothioamide IUPAC Name: N-cyclohexyl-4-[2-(ethanethioylamino)ethyl]-N-ethynyl-3,4-dihydro-2H-thiochromene-6-carbothioamide Traditional Name: N-cyclohexyl-N-ethynyl-4-[2-(thioacetylamino)ethyl]thiochroman-6-carbothioamide Formula: C22H28N2S3 MolecularWeight: 416.66612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCCC1CCSC2=C1C=C(C=C2)C(=S)N(C#C)C3CCCCC3

Isomeric SMILES

CC(=S)NCCC1CCSC2=C1C=C(C=C2)C(=S)N(C#C)C3CCCCC3

InChI

InChI=1S/C22H28N2S3/c1-3-24(19-7-5-4-6-8-19)22(26)18-9-10-21-20(15-18)17(12-14-27-21)11-13-23-16(2)25/h1,9-10,15,17,19H,4-8,11-14H2,2H3,(H,23,25)