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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-chloranyl-N-(3-methoxypropyl)-3-nitro-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-4-chloro-N-(3-methoxypropyl)-3-nitro-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-(3-methoxypropyl)-3-nitrobenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-(3-methoxypropyl)-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-N-(3-methoxypropyl)-3-nitro-benzamide Formula: C26H26ClN3O7S MolecularWeight: 560.01854

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(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

COCCCN(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/C26H26ClN3O7S/c1-35-10-3-9-28(26(32)19-6-7-21(27)22(13-19)30(33)34)16-25(31)29(15-20-4-2-11-38-20)14-18-5-8-23-24(12-18)37-17-36-23/h2,4-8,11-13H,3,9-10,14-17H2,1H3