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

Systemtic Name: N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O2S/c1-2-15(22)19-12-8-9-13(18)14(10-12)20-17(24)21-16(23)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,19,22)(H2,20,21,23,24)