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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3,5-dimethoxy-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-3,5-dimethoxy-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-prop-2-enylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-prop-2-enylbenzamide Traditional Name: N-allyl-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=C)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)OC

Isomeric SMILES

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

InChI

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