3-chloranyl-N-[4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]benzamide

Systemtic Name: 3-chloranyl-N-[4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]benzamide Openeye Name: 3-chloro-N-[4-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]benzamide CAS Name: 3-chloro-N-[4-[[2-(4-nitroanilino)-2-oxoethyl]thio]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-[2-(4-nitroanilino)-2-oxoethyl]sulfanylphenyl]benzamide Traditional Name: 3-chloro-N-[4-[[2-keto-2-(4-nitroanilino)ethyl]thio]phenyl]benzamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O4S/c22-15-3-1-2-14(12-15)21(27)24-17-6-10-19(11-7-17)30-13-20(26)23-16-4-8-18(9-5-16)25(28)29/h1-12H,13H2,(H,23,26)(H,24,27)