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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-N-(4-methoxyphenyl)-2-thiophen-2-yl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-methoxyphenyl)-2-(2-thienyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-N-(4-methoxyphenyl)-2-thiophen-2-ylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-N-(4-methoxyphenyl)-2-thiophen-2-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-N-(4-methoxyphenyl)-2-(2-thienyl)acetamide Formula: C27H24N6O3S MolecularWeight: 512.58286

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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

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

InChI

InChI=1S/C27H24N6O3S/c1-36-21-12-10-20(11-13-21)29-27(35)26(24-9-5-15-37-24)32(17-19-6-4-14-28-16-19)25(34)18-33-23-8-3-2-7-22(23)30-31-33/h2-16,26H,17-18H2,1H3,(H,29,35)