2-[2-(benzotriazol-1-yl)ethanoyl-(3,4-dimethoxyphenyl)amino]-N-cyclohexyl-2-thiophen-2-yl-ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(3,4-dimethoxyphenyl)amino]-N-cyclohexyl-2-thiophen-2-yl-ethanamide Openeye Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-3,4-dimethoxy-anilino)-N-cyclohexyl-2-(2-thienyl)acetamide CAS Name: 2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-3,4-dimethoxyanilino)-N-cyclohexyl-2-thiophen-2-ylacetamide IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-3,4-dimethoxyanilino)-N-cyclohexyl-2-thiophen-2-ylacetamide Traditional Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-3,4-dimethoxy-anilino)-N-cyclohexyl-2-(2-thienyl)acetamide Formula: C28H31N5O4S MolecularWeight: 533.64184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)CN4C5=CC=CC=C5N=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NC3CCCCC3)C(=O)CN4C5=CC=CC=C5N=N4)OC

InChI

InChI=1S/C28H31N5O4S/c1-36-23-15-14-20(17-24(23)37-2)33(26(34)18-32-22-12-7-6-11-21(22)30-31-32)27(25-13-8-16-38-25)28(35)29-19-9-4-3-5-10-19/h6-8,11-17,19,27H,3-5,9-10,18H2,1-2H3,(H,29,35)