N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-chloro-4-nitro-benzamide Formula: C18H16Cl2N4O4S MolecularWeight: 455.31504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N4O4S/c1-2-3-16(25)21-10-4-7-13(19)15(8-10)22-18(29)23-17(26)12-6-5-11(24(27)28)9-14(12)20/h4-9H,2-3H2,1H3,(H,21,25)(H2,22,23,26,29)