tert-butyl N-[(2-nitrophenyl)carbamothioyl]carbamate

Systemtic Name: tert-butyl N-[(2-nitrophenyl)carbamothioyl]carbamate Openeye Name: tert-butyl N-[(2-nitrophenyl)carbamothioyl]carbamate CAS Name: N-[(2-nitroanilino)-sulfanylidenemethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-nitrophenyl)carbamothioyl]carbamate Traditional Name: N-[(2-nitrophenyl)thiocarbamoyl]carbamic acid tert-butyl ester Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S/c1-12(2,3)19-11(16)14-10(20)13-8-6-4-5-7-9(8)15(17)18/h4-7H,1-3H3,(H2,13,14,16,20)