N-methyl-1-pyridin-3-yl-N-[2-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)sulfonylamino]ethyl]cyclohexane-1-carbothioamide

Systemtic Name: N-methyl-1-pyridin-3-yl-N-[2-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)sulfonylamino]ethyl]cyclohexane-1-carbothioamide Openeye Name: N-methyl-1-(3-pyridyl)-N-[2-[(6-thioxocyclohexa-1,3-dien-1-yl)sulfonylamino]ethyl]cyclohexanecarbothioamide CAS Name: N-methyl-1-(3-pyridinyl)-N-[2-[(6-sulfanylidene-1-cyclohexa-1,3-dienyl)sulfonylamino]ethyl]-1-cyclohexanecarbothioamide IUPAC Name: N-methyl-1-pyridin-3-yl-N-[2-[(6-sulfanylidenecyclohexa-1,3-dien-1-yl)sulfonylamino]ethyl]cyclohexane-1-carbothioamide Traditional Name: N-methyl-1-(3-pyridyl)-N-[2-[(6-thioxocyclohexa-1,3-dien-1-yl)sulfonylamino]ethyl]cyclohexanecarbothioamide Formula: C21H27N3O2S3 MolecularWeight: 449.65298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCNS(=O)(=O)C1=CC=CCC1=S)C(=S)C2(CCCCC2)C3=CN=CC=C3

Isomeric SMILES

CN(CCNS(=O)(=O)C1=CC=CCC1=S)C(=S)C2(CCCCC2)C3=CN=CC=C3

InChI

InChI=1S/C21H27N3O2S3/c1-24(15-14-23-29(25,26)19-10-4-3-9-18(19)27)20(28)21(11-5-2-6-12-21)17-8-7-13-22-16-17/h3-4,7-8,10,13,16,23H,2,5-6,9,11-12,14-15H2,1H3