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

Systemtic Name: 5-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-chloranyl-benzamide Openeye Name: 5-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-chloro-benzamide CAS Name: 5-bromo-2-chloro-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-chlorobenzamide Traditional Name: 5-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-chloro-benzamide Formula: C18H16BrCl2N3O2S MolecularWeight: 489.21354

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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)Br)Cl

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C18H16BrCl2N3O2S/c1-2-3-16(25)22-11-5-7-14(21)15(9-11)23-18(27)24-17(26)12-8-10(19)4-6-13(12)20/h4-9H,2-3H2,1H3,(H,22,25)(H2,23,24,26,27)