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

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(3-ethanoylphenyl)amino]-N-cyclohexyl-2-thiophen-2-yl-ethanamide Openeye Name: 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(2-thienyl)acetamide CAS Name: 2-(3-acetyl-N-[2-(1-benzotriazolyl)-1-oxoethyl]anilino)-N-cyclohexyl-2-thiophen-2-ylacetamide IUPAC Name: 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-thiophen-2-ylacetamide Traditional Name: 2-(3-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(2-thienyl)acetamide Formula: C28H29N5O3S MolecularWeight: 515.62656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O3S/c1-19(34)20-9-7-12-22(17-20)33(26(35)18-32-24-14-6-5-13-23(24)30-31-32)27(25-15-8-16-37-25)28(36)29-21-10-3-2-4-11-21/h5-9,12-17,21,27H,2-4,10-11,18H2,1H3,(H,29,36)