S-(4-ethylphenyl) N-(3-bromanylbutyl)carbamothioate

Systemtic Name: S-(4-ethylphenyl) N-(3-bromanylbutyl)carbamothioate Openeye Name: S-(4-ethylphenyl) N-(3-bromobutyl)carbamothioate CAS Name: N-(3-bromobutyl)carbamothioic acid S-(4-ethylphenyl) ester IUPAC Name: S-(4-ethylphenyl) N-(3-bromobutyl)carbamothioate Traditional Name: N-(3-bromobutyl)thiocarbamic acid S-(4-ethylphenyl) ester Formula: C13H18BrNOS MolecularWeight: 316.25712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC(=O)NCCC(C)Br

Isomeric SMILES

CCC1=CC=C(C=C1)SC(=O)NCCC(C)Br

InChI

InChI=1S/C13H18BrNOS/c1-3-11-4-6-12(7-5-11)17-13(16)15-9-8-10(2)14/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)