N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-2,4-dimethoxy-N-prop-2-enyl-benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-2,4-dimethoxy-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-2,4-dimethoxy-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-2,4-dimethoxy-benzamide Formula: C27H28N2O6S MolecularWeight: 508.58602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O6S/c1-4-11-28(27(31)22-9-8-20(32-2)14-24(22)33-3)17-26(30)29(16-21-6-5-12-36-21)15-19-7-10-23-25(13-19)35-18-34-23/h4-10,12-14H,1,11,15-18H2,2-3H3