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

Systemtic Name: methyl 4-[(2-methylphenyl)methylcarbamothioylamino]butanoate Openeye Name: methyl 4-(o-tolylmethylcarbamothioylamino)butanoate CAS Name: 4-[[[(2-methylphenyl)methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-methylphenyl)methylcarbamothioylamino]butanoate Traditional Name: 4-[(2-methylbenzyl)thiocarbamoylamino]butyric acid methyl ester Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C14H20N2O2S/c1-11-6-3-4-7-12(11)10-16-14(19)15-9-5-8-13(17)18-2/h3-4,6-7H,5,8-10H2,1-2H3,(H2,15,16,19)