N-tert-butyl-2-[(4-nitrophenyl)carbamothioylamino]ethanamide

Systemtic Name: N-tert-butyl-2-[(4-nitrophenyl)carbamothioylamino]ethanamide Openeye Name: N-tert-butyl-2-[(4-nitrophenyl)carbamothioylamino]acetamide CAS Name: N-tert-butyl-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]acetamide IUPAC Name: N-tert-butyl-2-[(4-nitrophenyl)carbamothioylamino]acetamide Traditional Name: N-tert-butyl-2-[(4-nitrophenyl)thiocarbamoylamino]acetamide Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3S/c1-13(2,3)16-11(18)8-14-12(21)15-9-4-6-10(7-5-9)17(19)20/h4-7H,8H2,1-3H3,(H,16,18)(H2,14,15,21)