S-(4-tert-butylphenyl) N-(2-chloroethyl)carbamothioate

Systemtic Name: S-(4-tert-butylphenyl) N-(2-chloroethyl)carbamothioate Openeye Name: S-(4-tert-butylphenyl) N-(2-chloroethyl)carbamothioate CAS Name: N-(2-chloroethyl)carbamothioic acid S-(4-tert-butylphenyl) ester IUPAC Name: S-(4-tert-butylphenyl) N-(2-chloroethyl)carbamothioate Traditional Name: N-(2-chloroethyl)thiocarbamic acid S-(4-tert-butylphenyl) ester Formula: C13H18ClNOS MolecularWeight: 271.80612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC(=O)NCCCl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC(=O)NCCCl

InChI

InChI=1S/C13H18ClNOS/c1-13(2,3)10-4-6-11(7-5-10)17-12(16)15-9-8-14/h4-7H,8-9H2,1-3H3,(H,15,16)