N-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide

Systemtic Name: N-[4-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[4-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[4-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[[2-(3,5-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=CC(=CC(=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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