2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-[cyclopentyl(piperonyl)amino]-N-[3-(methylthio)phenyl]acetamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C22H26N2O3S/c1-28-19-8-4-5-17(12-19)23-22(25)14-24(18-6-2-3-7-18)13-16-9-10-20-21(11-16)27-15-26-20/h4-5,8-12,18H,2-3,6-7,13-15H2,1H3,(H,23,25)