N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-cyclopropyl-2,6-dimethoxy-benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-cyclopropyl-2,6-dimethoxy-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-cyclopropyl-2,6-dimethoxy-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2,6-dimethoxybenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2,6-dimethoxybenzamide Traditional Name: N-cyclopropyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-2,6-dimethoxy-benzamide Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5

InChI

InChI=1S/C27H28N2O6S/c1-32-22-6-3-7-23(33-2)26(22)27(31)29(19-9-10-19)16-25(30)28(15-20-5-4-12-36-20)14-18-8-11-21-24(13-18)35-17-34-21/h3-8,11-13,19H,9-10,14-17H2,1-2H3