tert-butyl N-[(2S)-1-[(2-azanyl-5-nitro-phenyl)amino]-1-sulfanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(2-azanyl-5-nitro-phenyl)amino]-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-(2-amino-5-nitro-anilino)-1-methyl-2-thioxo-ethyl]carbamate CAS Name: N-[(2S)-1-(2-amino-5-nitroanilino)-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(2-amino-5-nitroanilino)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(2-amino-5-nitro-anilino)-1-methyl-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C14H20N4O4S MolecularWeight: 340.398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O4S/c1-8(16-13(19)22-14(2,3)4)12(23)17-11-7-9(18(20)21)5-6-10(11)15/h5-8H,15H2,1-4H3,(H,16,19)(H,17,23)/t8-/m0/s1