2-[1,3-benzodioxol-5-ylmethyl-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]amino]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyl]amino]-N-cyclohexyl-ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-cyclohexyl-acetamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-N-cyclohexylacetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-cyclohexylacetamide Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]-piperonyl-amino]-N-cyclohexyl-acetamide Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCC(CC1)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H27N3O5S/c29-23(26-18-6-2-1-3-7-18)14-28(13-17-10-11-21-22(12-17)32-16-31-21)24(30)15-34-25-27-19-8-4-5-9-20(19)33-25/h4-5,8-12,18H,1-3,6-7,13-16H2,(H,26,29)