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

Systemtic Name: 3-chloranyl-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C18H17ClN4O2S2 MolecularWeight: 420.93618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O2S2/c1-2-15(24)22-17(26)20-13-6-8-14(9-7-13)21-18(27)23-16(25)11-4-3-5-12(19)10-11/h3-10H,2H2,1H3,(H2,20,22,24,26)(H2,21,23,25,27)