S-(4-tert-butylphenyl) N-(3-chloranyl-2-methyl-phenyl)carbamothioate

Systemtic Name: S-(4-tert-butylphenyl) N-(3-chloranyl-2-methyl-phenyl)carbamothioate Openeye Name: S-(4-tert-butylphenyl) N-(3-chloro-2-methyl-phenyl)carbamothioate CAS Name: N-(3-chloro-2-methylphenyl)carbamothioic acid S-(4-tert-butylphenyl) ester IUPAC Name: S-(4-tert-butylphenyl) N-(3-chloro-2-methylphenyl)carbamothioate Traditional Name: N-(3-chloro-2-methyl-phenyl)thiocarbamic acid S-(4-tert-butylphenyl) ester Formula: C18H20ClNOS MolecularWeight: 333.8755

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)SC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)SC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H20ClNOS/c1-12-15(19)6-5-7-16(12)20-17(21)22-14-10-8-13(9-11-14)18(2,3)4/h5-11H,1-4H3,(H,20,21)