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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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