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

Systemtic Name: 2-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-5-nitro-benzamide Openeye Name: 2-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-5-nitro-benzamide CAS Name: 2-bromo-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-5-nitrobenzamide Traditional Name: 2-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-5-nitro-benzamide Formula: C18H16BrClN4O4S MolecularWeight: 499.76604

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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=CC(=C2)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrClN4O4S/c1-2-3-16(25)21-10-4-7-14(20)15(8-10)22-18(29)23-17(26)12-9-11(24(27)28)5-6-13(12)19/h4-9H,2-3H2,1H3,(H,21,25)(H2,22,23,26,29)