2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)ethanoyl]amino]-N-cyclohexyl-2-thiophen-2-yl-ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)ethanoyl]amino]-N-cyclohexyl-2-thiophen-2-yl-ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-(2-thienyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(1-benzotriazolyl)-1-oxoethyl]amino]-N-cyclohexyl-2-thiophen-2-ylacetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-thiophen-2-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-piperonyl-amino]-N-cyclohexyl-2-(2-thienyl)acetamide Formula: C28H29N5O4S MolecularWeight: 531.62596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CC3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(CC1)NC(=O)C(C2=CC=CS2)N(CC3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C28H29N5O4S/c34-26(17-33-22-10-5-4-9-21(22)30-31-33)32(16-19-12-13-23-24(15-19)37-18-36-23)27(25-11-6-14-38-25)28(35)29-20-7-2-1-3-8-20/h4-6,9-15,20,27H,1-3,7-8,16-18H2,(H,29,35)