N,N-diethyl-3-[(4-nitrophenyl)carbonylcarbamothioylamino]benzamide

Systemtic Name: N,N-diethyl-3-[(4-nitrophenyl)carbonylcarbamothioylamino]benzamide Openeye Name: N,N-diethyl-3-[(4-nitrobenzoyl)carbamothioylamino]benzamide CAS Name: N,N-diethyl-3-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[(4-nitrobenzoyl)carbamothioylamino]benzamide Traditional Name: N,N-diethyl-3-[(4-nitrobenzoyl)thiocarbamoylamino]benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-3-22(4-2)18(25)14-6-5-7-15(12-14)20-19(28)21-17(24)13-8-10-16(11-9-13)23(26)27/h5-12H,3-4H2,1-2H3,(H2,20,21,24,28)