3,4-bis(chloranyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,4-dichloro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,4-dichloro-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dichloro-N-[[3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3,4-dichloro-N-[(3-propionamidophenyl)thiocarbamoyl]benzamide Formula: C17H15Cl2N3O2S MolecularWeight: 396.2909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2N3O2S/c1-2-15(23)20-11-4-3-5-12(9-11)21-17(25)22-16(24)10-6-7-13(18)14(19)8-10/h3-9H,2H2,1H3,(H,20,23)(H2,21,22,24,25)