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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-methylpropyl(2-phenylsulfanylethanoyl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[isobutyl-(2-phenylsulfanylacetyl)amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-methylpropyl-[1-oxo-2-(phenylthio)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-methylpropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[isobutyl-[2-(phenylthio)acetyl]amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C27H30N2O4S2 MolecularWeight: 510.6681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4S2/c1-20(2)14-28(27(31)18-35-22-7-4-3-5-8-22)17-26(30)29(16-23-9-6-12-34-23)15-21-10-11-24-25(13-21)33-19-32-24/h3-13,20H,14-19H2,1-2H3