N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H16ClN5O6S MolecularWeight: 465.86754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN5O6S/c1-2-3-16(25)20-11-4-5-14(19)15(8-11)21-18(31)22-17(26)10-6-12(23(27)28)9-13(7-10)24(29)30/h4-9H,2-3H2,1H3,(H,20,25)(H2,21,22,26,31)