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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-chloranyl-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-3-nitro-N-prop-2-enylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-chloro-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-3-nitro-benzamide Formula: C25H22ClN3O6S MolecularWeight: 527.97668

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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)Cl)[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)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H22ClN3O6S/c1-2-9-27(25(31)18-6-7-20(26)21(12-18)29(32)33)15-24(30)28(14-19-4-3-10-36-19)13-17-5-8-22-23(11-17)35-16-34-22/h2-8,10-12H,1,9,13-16H2