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

Systemtic Name: 4-methoxy-3-nitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[4-[[(1-oxopropylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[4-(propanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[4-(propionylthiocarbamoylamino)phenyl]benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c1-3-16(23)21-18(28)20-13-7-5-12(6-8-13)19-17(24)11-4-9-15(27-2)14(10-11)22(25)26/h4-10H,3H2,1-2H3,(H,19,24)(H2,20,21,23,28)