(3R)-1-(4-tert-butylphenyl)-3-(4-methylsulfanylphenyl)-3-[(4-nitrophenyl)amino]propan-1-one

Systemtic Name: (3R)-1-(4-tert-butylphenyl)-3-(4-methylsulfanylphenyl)-3-[(4-nitrophenyl)amino]propan-1-one Openeye Name: (3R)-1-(4-tert-butylphenyl)-3-(4-methylsulfanylphenyl)-3-(4-nitroanilino)propan-1-one CAS Name: (3R)-1-(4-tert-butylphenyl)-3-[4-(methylthio)phenyl]-3-(4-nitroanilino)-1-propanone IUPAC Name: (3R)-1-(4-tert-butylphenyl)-3-(4-methylsulfanylphenyl)-3-(4-nitroanilino)propan-1-one Traditional Name: (3R)-1-(4-tert-butylphenyl)-3-[4-(methylthio)phenyl]-3-(4-nitroanilino)propan-1-one Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)SC)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)C[C@H](C2=CC=C(C=C2)SC)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H28N2O3S/c1-26(2,3)20-9-5-19(6-10-20)25(29)17-24(18-7-15-23(32-4)16-8-18)27-21-11-13-22(14-12-21)28(30)31/h5-16,24,27H,17H2,1-4H3/t24-/m1/s1