2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(2,4-dimethoxyphenyl)-2-(2-thienyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(2,4-dimethoxyphenyl)-2-(2-thienyl)acetamide Formula: C28H26N6O4S MolecularWeight: 542.60884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C(C2=CC=CS2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C(C2=CC=CS2)N(CC3=CN=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4)OC

InChI

InChI=1S/C28H26N6O4S/c1-37-20-11-12-22(24(15-20)38-2)30-28(36)27(25-10-6-14-39-25)33(17-19-7-5-13-29-16-19)26(35)18-34-23-9-4-3-8-21(23)31-32-34/h3-16,27H,17-18H2,1-2H3,(H,30,36)