4-[[(4-chlorophenyl)methylcarbamothioylamino]methyl]benzoate

Systemtic Name: 4-[[(4-chlorophenyl)methylcarbamothioylamino]methyl]benzoate Openeye Name: 4-[[(4-chlorophenyl)methylcarbamothioylamino]methyl]benzoate CAS Name: 4-[[[[(4-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[[(4-chlorophenyl)methylcarbamothioylamino]methyl]benzoate Traditional Name: 4-[[(4-chlorobenzyl)thiocarbamoylamino]methyl]benzoate Formula: C16H14ClN2O2S- MolecularWeight: 333.81256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NCC2=CC=C(C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NCC2=CC=C(C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C16H15ClN2O2S/c17-14-7-3-12(4-8-14)10-19-16(22)18-9-11-1-5-13(6-2-11)15(20)21/h1-8H,9-10H2,(H,20,21)(H2,18,19,22)/p-1