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

Systemtic Name: N-[3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylphenyl]-4-nitro-benzamide CAS Name: N-[3-[[2-(4-methylanilino)-2-oxoethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(4-methylanilino)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[3-[[2-keto-2-(p-toluidino)ethyl]thio]phenyl]-4-nitro-benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4S/c1-15-5-9-17(10-6-15)23-21(26)14-30-20-4-2-3-18(13-20)24-22(27)16-7-11-19(12-8-16)25(28)29/h2-13H,14H2,1H3,(H,23,26)(H,24,27)