N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O4S/c1-2-15(23)19-10-7-8-12(18)13(9-10)20-17(27)21-16(24)11-5-3-4-6-14(11)22(25)26/h3-9H,2H2,1H3,(H,19,23)(H2,20,21,24,27)