S-(4-tert-butylphenyl) N-(2-methyl-5-nitro-phenyl)carbamothioate

Systemtic Name: S-(4-tert-butylphenyl) N-(2-methyl-5-nitro-phenyl)carbamothioate Openeye Name: S-(4-tert-butylphenyl) N-(2-methyl-5-nitro-phenyl)carbamothioate CAS Name: N-(2-methyl-5-nitrophenyl)carbamothioic acid S-(4-tert-butylphenyl) ester IUPAC Name: S-(4-tert-butylphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate Traditional Name: N-(2-methyl-5-nitro-phenyl)thiocarbamic acid S-(4-tert-butylphenyl) ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)SC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)SC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H20N2O3S/c1-12-5-8-14(20(22)23)11-16(12)19-17(21)24-15-9-6-13(7-10-15)18(2,3)4/h5-11H,1-4H3,(H,19,21)