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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-prop-2-enyl-adamantane-1-carboxamide Openeye Name: N-allyl-N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enyl-1-adamantanecarboxamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-prop-2-enyladamantane-1-carboxamide Traditional Name: N-allyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]adamantane-1-carboxamide Formula: C29H34N2O4S MolecularWeight: 506.65626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O4S/c1-2-7-30(28(33)29-13-21-9-22(14-29)11-23(10-21)15-29)18-27(32)31(17-24-4-3-8-36-24)16-20-5-6-25-26(12-20)35-19-34-25/h2-6,8,12,21-23H,1,7,9-11,13-19H2