methyl 4-(phenylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-(phenylcarbamothioylamino)butanoate Openeye Name: methyl 4-(phenylcarbamothioylamino)butanoate CAS Name: 4-[[anilino(sulfanylidene)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(phenylcarbamothioylamino)butanoate Traditional Name: 4-(phenylthiocarbamoylamino)butyric acid methyl ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C12H16N2O2S/c1-16-11(15)8-5-9-13-12(17)14-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3,(H2,13,14,17)