N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C22H21N5O2S2 MolecularWeight: 451.56444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C

InChI

InChI=1S/C22H21N5O2S2/c1-3-14-4-9-17-18(12-14)31-21(25-17)26-20(29)15-5-7-16(8-6-15)24-19(28)13-30-22-23-10-11-27(22)2/h4-12H,3,13H2,1-2H3,(H,24,28)(H,25,26,29)