2-[2-(benzotriazol-1-yl)ethanoyl-(4-butan-2-ylphenyl)amino]-N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-ethanamide

Systemtic Name: 2-[2-(benzotriazol-1-yl)ethanoyl-(4-butan-2-ylphenyl)amino]-N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-ethanamide Openeye Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-sec-butyl-anilino)-N-(tetrahydrofuran-2-ylmethyl)-2-(2-thienyl)acetamide CAS Name: 2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-butan-2-ylanilino)-N-(2-oxolanylmethyl)-2-thiophen-2-ylacetamide IUPAC Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-butan-2-ylanilino)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide Traditional Name: 2-(N-[2-(benzotriazol-1-yl)acetyl]-4-sec-butyl-anilino)-N-(tetrahydrofurfuryl)-2-(2-thienyl)acetamide Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NCC3CCCO3)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N(C(C2=CC=CS2)C(=O)NCC3CCCO3)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C29H33N5O3S/c1-3-20(2)21-12-14-22(15-13-21)34(27(35)19-33-25-10-5-4-9-24(25)31-32-33)28(26-11-7-17-38-26)29(36)30-18-23-8-6-16-37-23/h4-5,7,9-15,17,20,23,28H,3,6,8,16,18-19H2,1-2H3,(H,30,36)