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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-4-methyl-3-nitro-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-3-nitro-N-(2-oxolanylmethyl)benzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-3-nitro-N-(oxolan-2-ylmethyl)benzamide Traditional Name: N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-4-methyl-3-nitro-N-(tetrahydrofurfuryl)benzamide Formula: C28H29N3O7S MolecularWeight: 551.61076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CC2CCCO2)CC(=O)N(CC3=CC4=C(C=C3)OCO4)CC5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CC2CCCO2)CC(=O)N(CC3=CC4=C(C=C3)OCO4)CC5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C28H29N3O7S/c1-19-6-8-21(13-24(19)31(34)35)28(33)30(15-22-4-2-10-36-22)17-27(32)29(16-23-5-3-11-39-23)14-20-7-9-25-26(12-20)38-18-37-25/h3,5-9,11-13,22H,2,4,10,14-18H2,1H3