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

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)ethanoyl]amino]-N-cyclopentyl-2-thiophen-3-yl-ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-(3-thienyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(1-benzotriazolyl)-1-oxoethyl]amino]-N-cyclopentyl-2-(3-thiophenyl)acetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclopentyl-2-thiophen-3-ylacetamide Traditional Name: 2-[[2-(benzotriazol-1-yl)acetyl]-piperonyl-amino]-N-cyclopentyl-2-(3-thienyl)acetamide Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(C2=CSC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1CCC(C1)NC(=O)C(C2=CSC=C2)N(CC3=CC4=C(C=C3)OCO4)C(=O)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C27H27N5O4S/c33-25(15-32-22-8-4-3-7-21(22)29-30-32)31(14-18-9-10-23-24(13-18)36-17-35-23)26(19-11-12-37-16-19)27(34)28-20-5-1-2-6-20/h3-4,7-13,16,20,26H,1-2,5-6,14-15,17H2,(H,28,34)