tert-butyl N-[(4-nitrophenyl)carbamothioylamino]carbamate

Systemtic Name: tert-butyl N-[(4-nitrophenyl)carbamothioylamino]carbamate Openeye Name: tert-butyl N-[(4-nitrophenyl)carbamothioylamino]carbamate CAS Name: N-[[(4-nitroanilino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(4-nitrophenyl)carbamothioylamino]carbamate Traditional Name: N-[(4-nitrophenyl)thiocarbamoylamino]carbamic acid tert-butyl ester Formula: C12H16N4O4S MolecularWeight: 312.34484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O4S/c1-12(2,3)20-11(17)15-14-10(21)13-8-4-6-9(7-5-8)16(18)19/h4-7H,1-3H3,(H,15,17)(H2,13,14,21)