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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-4-pentyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-isobutyl-4-pentyl-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-4-pentylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-4-pentylbenzamide Traditional Name: 4-amyl-N-isobutyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]benzamide Formula: C31H38N2O4S MolecularWeight: 534.70942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O4S/c1-4-5-6-8-24-10-13-26(14-11-24)31(35)33(18-23(2)3)21-30(34)32(20-27-9-7-16-38-27)19-25-12-15-28-29(17-25)37-22-36-28/h7,9-17,23H,4-6,8,18-22H2,1-3H3