N-[[4-[3-(methylcarbamoyl)phenyl]sulfanylphenyl]carbamoyl]-2-nitro-benzamide

Systemtic Name: N-[[4-[3-(methylcarbamoyl)phenyl]sulfanylphenyl]carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-[3-(methylcarbamoyl)phenyl]sulfanylphenyl]carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[[3-(methylcarbamoyl)phenyl]thio]anilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-[3-(methylcarbamoyl)phenyl]sulfanylphenyl]carbamoyl]-2-nitrobenzamide Traditional Name: N-[[4-[[3-(methylcarbamoyl)phenyl]thio]phenyl]carbamoyl]-2-nitro-benzamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC=C1)SC2=CC=C(C=C2)NC(=O)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CNC(=O)C1=CC(=CC=C1)SC2=CC=C(C=C2)NC(=O)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S/c1-23-20(27)14-5-4-6-17(13-14)32-16-11-9-15(10-12-16)24-22(29)25-21(28)18-7-2-3-8-19(18)26(30)31/h2-13H,1H3,(H,23,27)(H2,24,25,28,29)