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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-butan-2-yl-2-phenyl-ethanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-2-phenyl-N-sec-butyl-acetamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-butan-2-yl-2-phenylacetamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-butan-2-yl-2-phenylacetamide Traditional Name: N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-2-phenyl-N-sec-butyl-acetamide Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4S/c1-4-21(3)30(27(31)15-22-8-6-5-7-9-22)18-28(32)29(17-26-20(2)12-13-35-26)16-23-10-11-24-25(14-23)34-19-33-24/h5-14,21H,4,15-19H2,1-3H3