N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl(2-phenylsulfanylethanoyl)amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl(2-phenylsulfanylethanoyl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl-[1-oxo-2-(phenylthio)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methoxypropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[3-methoxypropyl-[2-(phenylthio)acetyl]amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C27H30N2O5S2 MolecularWeight: 526.6675

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)CSC4=CC=CC=C4

Isomeric SMILES

COCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O5S2/c1-32-13-6-12-28(27(31)19-36-22-7-3-2-4-8-22)18-26(30)29(17-23-9-5-14-35-23)16-21-10-11-24-25(15-21)34-20-33-24/h2-5,7-11,14-15H,6,12-13,16-20H2,1H3