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

Systemtic Name: 2-methyl-3-nitro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[[4-(propionylthiocarbamoylamino)phenyl]thiocarbamoyl]benzamide Formula: C19H19N5O4S2 MolecularWeight: 445.51526

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4S2/c1-3-16(25)22-18(29)20-12-7-9-13(10-8-12)21-19(30)23-17(26)14-5-4-6-15(11(14)2)24(27)28/h4-10H,3H2,1-2H3,(H2,20,22,25,29)(H2,21,23,26,30)