N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]-N-thiochroman-4-yl-benzamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C22H22N4O2S2/c1-26-12-11-23-22(26)30-14-20(27)24-16-8-6-15(7-9-16)21(28)25-18-10-13-29-19-5-3-2-4-17(18)19/h2-9,11-12,18H,10,13-14H2,1H3,(H,24,27)(H,25,28)