N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[1-(2-methylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[[1-(o-tolyl)imidazol-2-yl]thio]acetamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC=CN3C4=CC=CC=C4C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC=CN3C4=CC=CC=C4C

InChI

InChI=1S/C21H20N4O2S2/c1-3-27-15-8-9-16-18(12-15)29-20(23-16)24-19(26)13-28-21-22-10-11-25(21)17-7-5-4-6-14(17)2/h4-12H,3,13H2,1-2H3,(H,23,24,26)