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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-phenethyl-amino]-N-cyclohexyl-2-thiophen-2-yl-ethanamide Openeye Name: 2-[[2-(benzotriazol-1-yl)acetyl]-phenethyl-amino]-N-cyclohexyl-2-(2-thienyl)acetamide CAS Name: 2-[[2-(1-benzotriazolyl)-1-oxoethyl]-phenethylamino]-N-cyclohexyl-2-thiophen-2-ylacetamide IUPAC Name: 2-[[2-(benzotriazol-1-yl)acetyl]-phenethylamino]-N-cyclohexyl-2-thiophen-2-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-phenethyl-amino]-N-cyclohexyl-2-(2-thienyl)acetamide Formula: C28H31N5O2S MolecularWeight: 501.64304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CCC3=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CCC3=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C28H31N5O2S/c34-26(20-33-24-15-8-7-14-23(24)30-31-33)32(18-17-21-10-3-1-4-11-21)27(25-16-9-19-36-25)28(35)29-22-12-5-2-6-13-22/h1,3-4,7-11,14-16,19,22,27H,2,5-6,12-13,17-18,20H2,(H,29,35)