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

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O4S/c1-3-16(24)20-11-7-8-13(19)14(9-11)21-18(28)22-17(25)12-5-4-6-15(10(12)2)23(26)27/h4-9H,3H2,1-2H3,(H,20,24)(H2,21,22,25,28)