N-(4-butoxyphenyl)-2-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-butoxyphenyl)-2-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-ethanamide Openeye Name: N-(4-butoxyphenyl)-2-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]sulfanyl-acetamide CAS Name: N-(4-butoxyphenyl)-2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]thio]acetamide IUPAC Name: N-(4-butoxyphenyl)-2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylacetamide Traditional Name: N-(4-butoxyphenyl)-2-[[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thio]acetamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-3-4-11-30-16-7-5-15(6-8-16)22-20(25)13-31-14-21(26)23-18-10-9-17(29-2)12-19(18)24(27)28/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,22,25)(H,23,26)