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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(3-methoxypropyl)-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-(3-methoxypropyl)-4-methyl-3-nitro-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-methyl-3-nitrobenzamide Traditional Name: N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-N-(3-methoxypropyl)-4-methyl-3-nitro-benzamide Formula: C27H29N3O7S MolecularWeight: 539.60006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O7S/c1-19-6-8-21(14-23(19)30(33)34)27(32)28(10-4-11-35-2)17-26(31)29(16-22-5-3-12-38-22)15-20-7-9-24-25(13-20)37-18-36-24/h3,5-9,12-14H,4,10-11,15-18H2,1-2H3