2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=CN3CC4=CC=CC=C4)CO

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=CN3CC4=CC=CC=C4)CO

InChI

InChI=1S/C21H20N4O2S2/c1-14-7-8-17-18(9-14)29-20(23-17)24-19(27)13-28-21-22-16(12-26)11-25(21)10-15-5-3-2-4-6-15/h2-9,11,26H,10,12-13H2,1H3,(H,23,24,27)