N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-2-phenyl-N-propyl-ethanamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-2-phenyl-N-propyl-ethanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-2-phenyl-N-propyl-acetamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-phenyl-N-propylacetamide Traditional Name: N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-2-phenyl-N-propyl-acetamide Formula: C27H30N2O4S MolecularWeight: 478.6031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c1-3-12-28(26(30)15-21-7-5-4-6-8-21)18-27(31)29(17-25-20(2)11-13-34-25)16-22-9-10-23-24(14-22)33-19-32-23/h4-11,13-14H,3,12,15-19H2,1-2H3