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

Systemtic Name: 2-methyl-3-nitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide CAS Name: 2-methyl-3-nitro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[4-(propionylthiocarbamoylamino)phenyl]benzamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-3-16(23)21-18(27)20-13-9-7-12(8-10-13)19-17(24)14-5-4-6-15(11(14)2)22(25)26/h4-10H,3H2,1-2H3,(H,19,24)(H2,20,21,23,27)