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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-chloranyl-N-cyclopropyl-3-nitro-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-4-chloro-N-cyclopropyl-3-nitro-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-cyclopropyl-3-nitrobenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-cyclopropyl-3-nitrobenzamide Traditional Name: 4-chloro-N-cyclopropyl-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:

C1CC1N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H22ClN3O6S/c26-20-7-4-17(11-21(20)29(32)33)25(31)28(18-5-6-18)14-24(30)27(13-19-2-1-9-36-19)12-16-3-8-22-23(10-16)35-15-34-22/h1-4,7-11,18H,5-6,12-15H2