N-(1,3-benzodioxol-5-yl)-2-[2-(benzotriazol-1-yl)ethanoyl-[(4-methoxyphenyl)methyl]amino]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[2-(benzotriazol-1-yl)ethanoyl-[(4-methoxyphenyl)methyl]amino]-2-thiophen-2-yl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(2-thienyl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(1-benzotriazolyl)-1-oxoethyl]-[(4-methoxyphenyl)methyl]amino]-2-thiophen-2-ylacetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-thiophen-2-ylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[2-(benzotriazol-1-yl)acetyl]-p-anisyl-amino]-2-(2-thienyl)acetamide Formula: C29H25N5O5S MolecularWeight: 555.6043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C(C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

COC1=CC=C(C=C1)CN(C(C2=CC=CS2)C(=O)NC3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C29H25N5O5S/c1-37-21-11-8-19(9-12-21)16-33(27(35)17-34-23-6-3-2-5-22(23)31-32-34)28(26-7-4-14-40-26)29(36)30-20-10-13-24-25(15-20)39-18-38-24/h2-15,28H,16-18H2,1H3,(H,30,36)