S-(3-propylphenyl) N-(3-bromanylbutyl)carbamothioate

Systemtic Name: S-(3-propylphenyl) N-(3-bromanylbutyl)carbamothioate Openeye Name: S-(3-propylphenyl) N-(3-bromobutyl)carbamothioate CAS Name: N-(3-bromobutyl)carbamothioic acid S-(3-propylphenyl) ester IUPAC Name: S-(3-propylphenyl) N-(3-bromobutyl)carbamothioate Traditional Name: N-(3-bromobutyl)thiocarbamic acid S-(3-propylphenyl) ester Formula: C14H20BrNOS MolecularWeight: 330.2837

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)SC(=O)NCCC(C)Br

Isomeric SMILES

CCCC1=CC(=CC=C1)SC(=O)NCCC(C)Br

InChI

InChI=1S/C14H20BrNOS/c1-3-5-12-6-4-7-13(10-12)18-14(17)16-9-8-11(2)15/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,16,17)