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

Systemtic Name: 3,4-bis(chloranyl)-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 3,4-dichloro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide CAS Name: 3,4-dichloro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3,4-dichloro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 3,4-dichloro-N-[4-(propionylthiocarbamoylamino)phenyl]benzamide Formula: C17H15Cl2N3O2S MolecularWeight: 396.2909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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