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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)adamantane-1-carboxamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-isobutyl-adamantane-1-carboxamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-1-adamantanecarboxamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)adamantane-1-carboxamide Traditional Name: N-isobutyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]adamantane-1-carboxamide Formula: C30H38N2O4S MolecularWeight: 522.69872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O4S/c1-20(2)15-32(29(34)30-12-22-8-23(13-30)10-24(9-22)14-30)18-28(33)31(17-25-4-3-7-37-25)16-21-5-6-26-27(11-21)36-19-35-26/h3-7,11,20,22-24H,8-10,12-19H2,1-2H3