2-chloranyl-N-[2-[(3-methylsulfanylphenyl)carbamoyl]phenyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[2-[(3-methylsulfanylphenyl)carbamoyl]phenyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[2-[(3-methylsulfanylphenyl)carbamoyl]phenyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[2-[[3-(methylthio)anilino]-oxomethyl]phenyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[2-[(3-methylsulfanylphenyl)carbamoyl]phenyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[2-[[3-(methylthio)phenyl]carbamoyl]phenyl]-4-nitro-benzamide Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H16ClN3O4S/c1-30-15-6-4-5-13(11-15)23-21(27)17-7-2-3-8-19(17)24-20(26)16-10-9-14(25(28)29)12-18(16)22/h2-12H,1H3,(H,23,27)(H,24,26)