N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C19H19ClN4O5S MolecularWeight: 450.89596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O5S/c1-3-17(25)21-12-6-7-13(20)14(10-12)22-19(30)23-18(26)11-5-8-16(29-4-2)15(9-11)24(27)28/h5-10H,3-4H2,1-2H3,(H,21,25)(H2,22,23,26,30)