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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-cyclopropyl-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-cyclopropyl-4-methyl-3-nitro-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-4-methyl-3-nitrobenzamide Traditional Name: N-cyclopropyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-4-methyl-3-nitro-benzamide Formula: C26H25N3O6S MolecularWeight: 507.5582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O6S/c1-17-4-6-19(12-22(17)29(32)33)26(31)28(20-7-8-20)15-25(30)27(14-21-3-2-10-36-21)13-18-5-9-23-24(11-18)35-16-34-23/h2-6,9-12,20H,7-8,13-16H2,1H3