N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-(tetrahydrofuran-2-ylmethyl)adamantane-1-carboxamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-oxolanylmethyl)-1-adamantanecarboxamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-N-(tetrahydrofurfuryl)adamantane-1-carboxamide Formula: C31H38N2O5S MolecularWeight: 550.70882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CC(OC1)CN(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H38N2O5S/c34-29(32(18-26-4-2-8-39-26)16-21-5-6-27-28(12-21)38-20-37-27)19-33(17-25-3-1-7-36-25)30(35)31-13-22-9-23(14-31)11-24(10-22)15-31/h2,4-6,8,12,22-25H,1,3,7,9-11,13-20H2