methyl 4-(phenylazanylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-(phenylazanylcarbamothioylamino)butanoate Openeye Name: methyl 4-(anilinocarbamothioylamino)butanoate CAS Name: 4-[[(phenylhydrazo)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(anilinocarbamothioylamino)butanoate Traditional Name: 4-(anilinothiocarbamoylamino)butyric acid methyl ester Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCNC(=S)NNC1=CC=CC=C1

InChI

InChI=1S/C12H17N3O2S/c1-17-11(16)8-5-9-13-12(18)15-14-10-6-3-2-4-7-10/h2-4,6-7,14H,5,8-9H2,1H3,(H2,13,15,18)