N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(2-thienylmethyl)amino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-cyclohexyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-cyclohexyl-N-[2-[(4-fluorobenzyl)-(2-thenyl)amino]-2-keto-ethyl]-piperonylamide Formula: C28H29FN2O4S MolecularWeight: 508.604263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(CC1)N(CC(=O)N(CC2=CC=C(C=C2)F)CC3=CC=CS3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H29FN2O4S/c29-22-11-8-20(9-12-22)16-30(17-24-7-4-14-36-24)27(32)18-31(23-5-2-1-3-6-23)28(33)21-10-13-25-26(15-21)35-19-34-25/h4,7-15,23H,1-3,5-6,16-19H2