N-[3-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]phenyl]-4-nitro-benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O4S/c1-15-5-3-6-16(2)22(15)25-21(27)14-31-20-8-4-7-18(13-20)24-23(28)17-9-11-19(12-10-17)26(29)30/h3-13H,14H2,1-2H3,(H,24,28)(H,25,27)