2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-N-tert-butyl-2-thiophen-2-yl-ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-N-tert-butyl-2-thiophen-2-yl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-tert-butyl-2-(2-thienyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-quinolinyl)amino]-N-tert-butyl-2-thiophen-2-ylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-quinolin-3-ylamino]-N-tert-butyl-2-thiophen-2-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-tert-butyl-2-(2-thienyl)acetamide Formula: C27H26N6O2S MolecularWeight: 498.59934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(C1=CC=CS1)N(C2=CC3=CC=CC=C3N=C2)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CC(C)(C)NC(=O)C(C1=CC=CS1)N(C2=CC3=CC=CC=C3N=C2)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C27H26N6O2S/c1-27(2,3)29-26(35)25(23-13-8-14-36-23)33(19-15-18-9-4-5-10-20(18)28-16-19)24(34)17-32-22-12-7-6-11-21(22)30-31-32/h4-16,25H,17H2,1-3H3,(H,29,35)