N-[3-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C25H25N3O4S/c1-4-18-8-5-7-16(2)23(18)27-24(29)17(3)33-22-10-6-9-20(15-22)26-25(30)19-11-13-21(14-12-19)28(31)32/h5-15,17H,4H2,1-3H3,(H,26,30)(H,27,29)