S-(4-butylsulfanylphenyl) N-cyclopentyl-N-methyl-carbamothioate

Systemtic Name: S-(4-butylsulfanylphenyl) N-cyclopentyl-N-methyl-carbamothioate Openeye Name: S-(4-butylsulfanylphenyl) N-cyclopentyl-N-methyl-carbamothioate CAS Name: N-cyclopentyl-N-methylcarbamothioic acid S-[4-(butylthio)phenyl] ester IUPAC Name: S-(4-butylsulfanylphenyl) N-cyclopentyl-N-methylcarbamothioate Traditional Name: N-cyclopentyl-N-methyl-thiocarbamic acid S-[4-(butylthio)phenyl] ester Formula: C17H25NOS2 MolecularWeight: 323.5165

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)SC(=O)N(C)C2CCCC2

Isomeric SMILES

CCCCSC1=CC=C(C=C1)SC(=O)N(C)C2CCCC2

InChI

InChI=1S/C17H25NOS2/c1-3-4-13-20-15-9-11-16(12-10-15)21-17(19)18(2)14-7-5-6-8-14/h9-12,14H,3-8,13H2,1-2H3