tert-butyl N-[(2R)-1-[(2-azanyl-5-nitro-phenyl)amino]-3-phenyl-1-sulfanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-1-[(2-azanyl-5-nitro-phenyl)amino]-3-phenyl-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-(2-amino-5-nitro-anilino)-1-benzyl-2-thioxo-ethyl]carbamate CAS Name: N-[(2R)-1-(2-amino-5-nitroanilino)-3-phenyl-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-(2-amino-5-nitroanilino)-3-phenyl-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1R)-2-(2-amino-5-nitro-anilino)-1-benzyl-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C20H24N4O4S/c1-20(2,3)28-19(25)23-17(11-13-7-5-4-6-8-13)18(29)22-16-12-14(24(26)27)9-10-15(16)21/h4-10,12,17H,11,21H2,1-3H3,(H,22,29)(H,23,25)/t17-/m1/s1