tert-butyl N-[(2S)-1-[(2-azanyl-5-nitro-phenyl)amino]-3-methyl-1-sulfanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[(2-azanyl-5-nitro-phenyl)amino]-3-methyl-1-sulfanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(2-amino-5-nitro-phenyl)carbamothioyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-(2-amino-5-nitroanilino)-3-methyl-1-sulfanylidenebutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(2-amino-5-nitroanilino)-3-methyl-1-sulfanylidenebutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2-amino-5-nitro-phenyl)thiocarbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C16H24N4O4S MolecularWeight: 368.45116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O4S/c1-9(2)13(19-15(21)24-16(3,4)5)14(25)18-12-8-10(20(22)23)6-7-11(12)17/h6-9,13H,17H2,1-5H3,(H,18,25)(H,19,21)/t13-/m0/s1