S-[(4-bromophenyl)methyl] N-(2-butylpyridin-3-yl)carbamothioate

Systemtic Name: S-[(4-bromophenyl)methyl] N-(2-butylpyridin-3-yl)carbamothioate Openeye Name: S-[(4-bromophenyl)methyl] N-(2-butyl-3-pyridyl)carbamothioate CAS Name: N-(2-butyl-3-pyridinyl)carbamothioic acid S-[(4-bromophenyl)methyl] ester IUPAC Name: S-[(4-bromophenyl)methyl] N-(2-butylpyridin-3-yl)carbamothioate Traditional Name: N-(2-butyl-3-pyridyl)thiocarbamic acid S-(4-bromobenzyl) ester Formula: C17H19BrN2OS MolecularWeight: 379.31456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H19BrN2OS/c1-2-3-5-15-16(6-4-11-19-15)20-17(21)22-12-13-7-9-14(18)10-8-13/h4,6-11H,2-3,5,12H2,1H3,(H,20,21)