N-(1,3-benzodioxol-5-yl)-2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(benzotriazol-1-yl)ethanoyl-(pyridin-3-ylmethyl)amino]-2-thiophen-2-yl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-2-(2-thienyl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-pyridinylmethyl)amino]-2-thiophen-2-ylacetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-(pyridin-3-ylmethyl)amino]-2-thiophen-2-ylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-(3-pyridylmethyl)amino]-2-(2-thienyl)acetamide Formula: C27H22N6O4S MolecularWeight: 526.56638

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C(C3=CC=CS3)N(CC4=CN=CC=C4)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C(C3=CC=CS3)N(CC4=CN=CC=C4)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C27H22N6O4S/c34-25(16-33-21-7-2-1-6-20(21)30-31-33)32(15-18-5-3-11-28-14-18)26(24-8-4-12-38-24)27(35)29-19-9-10-22-23(13-19)37-17-36-22/h1-14,26H,15-17H2,(H,29,35)