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

Systemtic Name: S-(4-tert-butyl-2-methyl-phenyl) N-(2-methyl-5-nitro-phenyl)carbamothioate Openeye Name: S-(4-tert-butyl-2-methyl-phenyl) N-(2-methyl-5-nitro-phenyl)carbamothioate CAS Name: N-(2-methyl-5-nitrophenyl)carbamothioic acid S-(4-tert-butyl-2-methylphenyl) ester IUPAC Name: S-(4-tert-butyl-2-methylphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate Traditional Name: N-(2-methyl-5-nitro-phenyl)thiocarbamic acid S-(4-tert-butyl-2-methyl-phenyl) ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-12-6-8-15(21(23)24)11-16(12)20-18(22)25-17-9-7-14(10-13(17)2)19(3,4)5/h6-11H,1-5H3,(H,20,22)