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11-[(4-chlorophenyl)methylcarbamothioylsulfanyl]undecanoic acid

11-[(4-chlorophenyl)methylcarbamothioylsulfanyl]undecanoic acid

Systemtic Name:11-[(4-chlorophenyl)methylcarbamothioylsulfanyl]undecanoic acid
Openeye Name:11-[(4-chlorophenyl)methylcarbamothioylsulfanyl]undecanoic acid
CAS Name:11-[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]thio]undecanoic acid
IUPAC Name:11-[(4-chlorophenyl)methylcarbamothioylsulfanyl]undecanoic acid
Traditional Name:11-[(4-chlorobenzyl)thiocarbamoylthio]undecanoic acid
Formula: C19H28ClNO2S2
MolecularWeight: 402.01412
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)SCCCCCCCCCCC(=O)O)Cl


Isomeric SMILES

C1=CC(=CC=C1CNC(=S)SCCCCCCCCCCC(=O)O)Cl


InChI

InChI=1S/C19H28ClNO2S2/c20-17-12-10-16(11-13-17)15-21-19(24)25-14-8-6-4-2-1-3-5-7-9-18(22)23/h10-13H,1-9,14-15H2,(H,21,24)(H,22,23)


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