5-(phenylcarbamothioylamino)pentanoic acid

Systemtic Name: 5-(phenylcarbamothioylamino)pentanoic acid Openeye Name: 5-(phenylcarbamothioylamino)pentanoic acid CAS Name: 5-[[anilino(sulfanylidene)methyl]amino]pentanoic acid IUPAC Name: 5-(phenylcarbamothioylamino)pentanoic acid Traditional Name: 5-(phenylthiocarbamoylamino)valeric acid Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCCCCC(=O)O

InChI

InChI=1S/C12H16N2O2S/c15-11(16)8-4-5-9-13-12(17)14-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,15,16)(H2,13,14,17)