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

Systemtic Name: 4-chloranyl-3-nitro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-chloro-3-nitro-N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-chloro-3-nitro-N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C18H16ClN5O4S2 MolecularWeight: 465.93374

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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(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O4S2/c1-2-15(25)22-17(29)20-11-4-6-12(7-5-11)21-18(30)23-16(26)10-3-8-13(19)14(9-10)24(27)28/h3-9H,2H2,1H3,(H2,20,22,25,29)(H2,21,23,26,30)