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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(3-methoxypropyl)adamantane-1-carboxamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-(3-methoxypropyl)adamantane-1-carboxamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-1-adamantanecarboxamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-N-(3-methoxypropyl)adamantane-1-carboxamide Formula: C30H38N2O5S MolecularWeight: 538.69812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O5S/c1-35-8-3-7-31(29(34)30-14-22-10-23(15-30)12-24(11-22)16-30)19-28(33)32(18-25-4-2-9-38-25)17-21-5-6-26-27(13-21)37-20-36-26/h2,4-6,9,13,22-24H,3,7-8,10-12,14-20H2,1H3