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

Systemtic Name: N-[[4-chloranyl-3-(propanoylcarbamothioylamino)phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-chloro-3-(propanoylcarbamothioylamino)phenyl]carbamothioyl]propanamide CAS Name: N-[[4-chloro-3-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-chloro-3-(propanoylcarbamothioylamino)phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-chloro-3-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]propionamide Formula: C14H17ClN4O2S2 MolecularWeight: 372.89338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN4O2S2/c1-3-11(20)18-13(22)16-8-5-6-9(15)10(7-8)17-14(23)19-12(21)4-2/h5-7H,3-4H2,1-2H3,(H2,16,18,20,22)(H2,17,19,21,23)