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

Systemtic Name: N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]benzamide Openeye Name: N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]benzamide CAS Name: N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]benzamide Traditional Name: N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]benzamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O2S/c1-2-6-16(23)20-13-9-10-14(19)15(11-13)21-18(25)22-17(24)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3,(H,20,23)(H2,21,22,24,25)