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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(3-methoxypropyl)octanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-(3-methoxypropyl)octanamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)octanamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)octanamide Traditional Name: N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-N-(3-methoxypropyl)caprylamide Formula: C27H38N2O5S MolecularWeight: 502.66602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N(CCCOC)CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3

Isomeric SMILES

CCCCCCCC(=O)N(CCCOC)CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3

InChI

InChI=1S/C27H38N2O5S/c1-3-4-5-6-7-11-26(30)28(14-9-15-32-2)20-27(31)29(19-23-10-8-16-35-23)18-22-12-13-24-25(17-22)34-21-33-24/h8,10,12-13,16-17H,3-7,9,11,14-15,18-21H2,1-2H3