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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O4S/c33-25(16-31-21-10-5-4-9-20(21)29-30-31)32(19-12-13-22-23(15-19)36-17-35-22)26(24-11-6-14-37-24)27(34)28-18-7-2-1-3-8-18/h4-6,9-15,18,26H,1-3,7-8,16-17H2,(H,28,34)