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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-propan-2-yl-adamantane-1-carboxamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-isopropyl-adamantane-1-carboxamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yl-1-adamantanecarboxamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propan-2-yladamantane-1-carboxamide Traditional Name: N-isopropyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]adamantane-1-carboxamide Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O4S/c1-19(2)31(28(33)29-12-21-8-22(13-29)10-23(9-21)14-29)17-27(32)30(16-24-4-3-7-36-24)15-20-5-6-25-26(11-20)35-18-34-25/h3-7,11,19,21-23H,8-10,12-18H2,1-2H3