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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(phenylmethyl)amino]-N-(4-methoxyphenyl)-2-thiophen-2-yl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-N-(4-methoxyphenyl)-2-(2-thienyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(phenylmethyl)amino]-N-(4-methoxyphenyl)-2-thiophen-2-ylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-(4-methoxyphenyl)-2-thiophen-2-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-benzyl-amino]-N-(4-methoxyphenyl)-2-(2-thienyl)acetamide Formula: C28H25N5O3S MolecularWeight: 511.5948

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=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

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

InChI

InChI=1S/C28H25N5O3S/c1-36-22-15-13-21(14-16-22)29-28(35)27(25-12-7-17-37-25)32(18-20-8-3-2-4-9-20)26(34)19-33-24-11-6-5-10-23(24)30-31-33/h2-17,27H,18-19H2,1H3,(H,29,35)