N-[[4-(butanoylamino)-3-chloranyl-phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[4-(butanoylamino)-3-chloranyl-phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[4-(butanoylamino)-3-chloro-phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[3-chloro-4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[4-(butanoylamino)-3-chlorophenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[(4-butyramido-3-chloro-phenyl)thiocarbamoyl]-2-fluoro-benzamide Formula: C18H17ClFN3O2S MolecularWeight: 393.862883

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2F)Cl

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2F)Cl

InChI

InChI=1S/C18H17ClFN3O2S/c1-2-5-16(24)22-15-9-8-11(10-13(15)19)21-18(26)23-17(25)12-6-3-4-7-14(12)20/h3-4,6-10H,2,5H2,1H3,(H,22,24)(H2,21,23,25,26)