N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(3-methoxypropyl)-4-pentyl-benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(3-methoxypropyl)-4-pentyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-(3-methoxypropyl)-4-pentyl-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-pentylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-pentylbenzamide Traditional Name: 4-amyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-N-(3-methoxypropyl)benzamide Formula: C31H38N2O5S MolecularWeight: 550.70882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)N(CCCOC)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)N(CCCOC)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

InChI

InChI=1S/C31H38N2O5S/c1-3-4-5-8-24-10-13-26(14-11-24)31(35)32(16-7-17-36-2)22-30(34)33(21-27-9-6-18-39-27)20-25-12-15-28-29(19-25)38-23-37-28/h6,9-15,18-19H,3-5,7-8,16-17,20-23H2,1-2H3