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

Systemtic Name: S-(4-tert-butylphenyl) N-(2-chloranyl-5-nitro-phenyl)carbamothioate Openeye Name: S-(4-tert-butylphenyl) N-(2-chloro-5-nitro-phenyl)carbamothioate CAS Name: N-(2-chloro-5-nitrophenyl)carbamothioic acid S-(4-tert-butylphenyl) ester IUPAC Name: S-(4-tert-butylphenyl) N-(2-chloro-5-nitrophenyl)carbamothioate Traditional Name: N-(2-chloro-5-nitro-phenyl)thiocarbamic acid S-(4-tert-butylphenyl) ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O3S/c1-17(2,3)11-4-7-13(8-5-11)24-16(21)19-15-10-12(20(22)23)6-9-14(15)18/h4-10H,1-3H3,(H,19,21)