tert-butyl N-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]carbamate

Systemtic Name: tert-butyl N-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]carbamate Openeye Name: tert-butyl N-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]carbamate CAS Name: N-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-methoxy-4-nitrophenyl)carbamothioylamino]carbamate Traditional Name: N-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]carbamic acid tert-butyl ester Formula: C13H18N4O5S MolecularWeight: 342.37082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O5S/c1-13(2,3)22-12(18)16-15-11(23)14-9-6-5-8(17(19)20)7-10(9)21-4/h5-7H,1-4H3,(H,16,18)(H2,14,15,23)