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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-quinolin-3-yl-amino]-N-cyclohexyl-2-thiophen-2-yl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-cyclohexyl-2-(2-thienyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-(3-quinolinyl)amino]-N-cyclohexyl-2-thiophen-2-ylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-quinolin-3-ylamino]-N-cyclohexyl-2-thiophen-2-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-(3-quinolyl)amino]-N-cyclohexyl-2-(2-thienyl)acetamide Formula: C29H28N6O2S MolecularWeight: 524.63662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(C3=CC4=CC=CC=C4N=C3)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C29H28N6O2S/c36-27(19-34-25-14-7-6-13-24(25)32-33-34)35(22-17-20-9-4-5-12-23(20)30-18-22)28(26-15-8-16-38-26)29(37)31-21-10-2-1-3-11-21/h4-9,12-18,21,28H,1-3,10-11,19H2,(H,31,37)