methyl 6-[(3-chlorophenyl)methylcarbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(3-chlorophenyl)methylcarbamothioylamino]hexanoate Openeye Name: methyl 6-[(3-chlorophenyl)methylcarbamothioylamino]hexanoate CAS Name: 6-[[[(3-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(3-chlorophenyl)methylcarbamothioylamino]hexanoate Traditional Name: 6-[(3-chlorobenzyl)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H21ClN2O2S MolecularWeight: 328.85744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NCC1=CC(=CC=C1)Cl

Isomeric SMILES

COC(=O)CCCCCNC(=S)NCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C15H21ClN2O2S/c1-20-14(19)8-3-2-4-9-17-15(21)18-11-12-6-5-7-13(16)10-12/h5-7,10H,2-4,8-9,11H2,1H3,(H2,17,18,21)