N-tert-butyl-3-[(4-nitrophenyl)carbonylcarbamothioylamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-19(2,3)22-17(25)13-5-4-6-14(11-13)20-18(28)21-16(24)12-7-9-15(10-8-12)23(26)27/h4-11H,1-3H3,(H,22,25)(H2,20,21,24,28)