methyl 4-[(2-chlorophenyl)methylcarbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2-chlorophenyl)methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[(2-chlorophenyl)methylcarbamothioylamino]butanoate CAS Name: 4-[[[(2-chlorophenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-chlorophenyl)methylcarbamothioylamino]butanoate Traditional Name: 4-[(2-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=C1Cl

Isomeric SMILES

COC(=O)CCCNC(=S)NCC1=CC=CC=C1Cl

InChI

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