N-[3-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[3-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[3-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[3-[[2-(4-butoxyanilino)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[3-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[3-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O5S/c1-2-3-14-33-22-12-10-19(11-13-22)26-24(29)17-34-23-9-5-7-20(16-23)27-25(30)18-6-4-8-21(15-18)28(31)32/h4-13,15-16H,2-3,14,17H2,1H3,(H,26,29)(H,27,30)