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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-1-adamantanecarboxamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide Formula: C29H36N2O5S MolecularWeight: 524.67154

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H36N2O5S/c1-34-7-6-30(28(33)29-13-21-9-22(14-29)11-23(10-21)15-29)18-27(32)31(17-24-3-2-8-37-24)16-20-4-5-25-26(12-20)36-19-35-25/h2-5,8,12,21-23H,6-7,9-11,13-19H2,1H3