N-(4-butoxyphenyl)-2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-butoxyphenyl)-2-[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(4-butoxyphenyl)-2-[2-(3-nitroanilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(4-butoxyphenyl)-2-[[2-(3-nitroanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-(4-butoxyphenyl)-2-[2-(3-nitroanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-(4-butoxyphenyl)-2-[[2-keto-2-(3-nitroanilino)ethyl]thio]acetamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-2-3-11-28-18-9-7-15(8-10-18)21-19(24)13-29-14-20(25)22-16-5-4-6-17(12-16)23(26)27/h4-10,12H,2-3,11,13-14H2,1H3,(H,21,24)(H,22,25)