S-(4-butylphenyl) N-[2,3-bis(bromanyl)butyl]carbamothioate

Systemtic Name: S-(4-butylphenyl) N-[2,3-bis(bromanyl)butyl]carbamothioate Openeye Name: S-(4-butylphenyl) N-(2,3-dibromobutyl)carbamothioate CAS Name: N-(2,3-dibromobutyl)carbamothioic acid S-(4-butylphenyl) ester IUPAC Name: S-(4-butylphenyl) N-(2,3-dibromobutyl)carbamothioate Traditional Name: N-(2,3-dibromobutyl)thiocarbamic acid S-(4-butylphenyl) ester Formula: C15H21Br2NOS MolecularWeight: 423.20634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SC(=O)NCC(C(C)Br)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC(=O)NCC(C(C)Br)Br

InChI

InChI=1S/C15H21Br2NOS/c1-3-4-5-12-6-8-13(9-7-12)20-15(19)18-10-14(17)11(2)16/h6-9,11,14H,3-5,10H2,1-2H3,(H,18,19)