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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-N-(phenylmethyl)-2-thiophen-2-yl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-benzyl-2-(2-thienyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-quinolinyl)amino]-N-(phenylmethyl)-2-thiophen-2-ylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-quinolin-3-ylamino]-N-benzyl-2-thiophen-2-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-benzyl-2-(2-thienyl)acetamide Formula: C30H24N6O2S MolecularWeight: 532.61556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C2=CC=CS2)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(C2=CC=CS2)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C30H24N6O2S/c37-28(20-35-26-14-7-6-13-25(26)33-34-35)36(23-17-22-11-4-5-12-24(22)31-19-23)29(27-15-8-16-39-27)30(38)32-18-21-9-2-1-3-10-21/h1-17,19,29H,18,20H2,(H,32,38)