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

Systemtic Name: S-(4-tert-butyl-2-methyl-phenyl) N-(2-chloranyl-5-nitro-phenyl)carbamothioate Openeye Name: S-(4-tert-butyl-2-methyl-phenyl) N-(2-chloro-5-nitro-phenyl)carbamothioate CAS Name: N-(2-chloro-5-nitrophenyl)carbamothioic acid S-(4-tert-butyl-2-methylphenyl) ester IUPAC Name: S-(4-tert-butyl-2-methylphenyl) N-(2-chloro-5-nitrophenyl)carbamothioate Traditional Name: N-(2-chloro-5-nitro-phenyl)thiocarbamic acid S-(4-tert-butyl-2-methyl-phenyl) ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)SC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)SC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN2O3S/c1-11-9-12(18(2,3)4)5-8-16(11)25-17(22)20-15-10-13(21(23)24)6-7-14(15)19/h5-10H,1-4H3,(H,20,22)