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

Systemtic Name: 4-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]benzamide Formula: C18H17BrClN3O2S MolecularWeight: 454.76848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrClN3O2S/c1-2-3-16(24)21-13-8-9-14(20)15(10-13)22-18(26)23-17(25)11-4-6-12(19)7-5-11/h4-10H,2-3H2,1H3,(H,21,24)(H2,22,23,25,26)