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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C14H20N2O2S/c1-11-5-7-12(8-6-11)10-16-14(19)15-9-3-4-13(17)18-2/h5-8H,3-4,9-10H2,1-2H3,(H2,15,16,19)