2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-cyanophenyl)ethanamide; ethanedioic acid

Systemtic Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-cyanophenyl)ethanamide; ethanedioic acid Openeye Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-cyanophenyl)acetamide; oxalic acid CAS Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-cyanophenyl)acetamide; oxalic acid IUPAC Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-cyanophenyl)acetamide; oxalic acid Traditional Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-cyanophenyl)acetamide; oxalic acid Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC=C3C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H16N4OS.C2H2O4/c1-22(12-18-21-15-8-4-5-9-16(15)24-18)11-17(23)20-14-7-3-2-6-13(14)10-19;3-1(4)2(5)6/h2-9H,11-12H2,1H3,(H,20,23);(H,3,4)(H,5,6)