methyl 4-[(3-chlorophenyl)methylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[(3-chlorophenyl)methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[(3-chlorophenyl)methylcarbamothioylamino]butanoate CAS Name: 4-[[[(3-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-chlorophenyl)methylcarbamothioylamino]butanoate Traditional Name: 4-[(3-chlorobenzyl)thiocarbamoylamino]butyric acid methyl ester Formula: C13H17ClN2O2S MolecularWeight: 300.80428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2O2S/c1-18-12(17)6-3-7-15-13(19)16-9-10-4-2-5-11(14)8-10/h2,4-5,8H,3,6-7,9H2,1H3,(H2,15,16,19)