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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-nitro-N-prop-2-enylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-4-nitro-benzamide Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C=CCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O6S/c1-2-11-26(25(30)19-6-8-20(9-7-19)28(31)32)16-24(29)27(15-21-4-3-12-35-21)14-18-5-10-22-23(13-18)34-17-33-22/h2-10,12-13H,1,11,14-17H2