2,3-bis(chloranyl)-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,3-bis(chloranyl)-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2,3-dichloro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide CAS Name: 2,3-dichloro-N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,3-dichloro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2,3-dichloro-N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C18H16Cl2N4O2S2 MolecularWeight: 455.38124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N4O2S2/c1-2-14(25)23-17(27)21-10-6-8-11(9-7-10)22-18(28)24-16(26)12-4-3-5-13(19)15(12)20/h3-9H,2H2,1H3,(H2,21,23,25,27)(H2,22,24,26,28)