2-[3-(phenylcarbamoylamino)propylsulfanyl]ethanoic acid

Systemtic Name: 2-[3-(phenylcarbamoylamino)propylsulfanyl]ethanoic acid Openeye Name: 2-[3-(phenylcarbamoylamino)propylsulfanyl]acetic acid CAS Name: 2-[3-[[anilino(oxo)methyl]amino]propylthio]acetic acid IUPAC Name: 2-[3-(phenylcarbamoylamino)propylsulfanyl]acetic acid Traditional Name: 2-[3-(phenylcarbamoylamino)propylthio]acetic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NCCCSCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NCCCSCC(=O)O

InChI

InChI=1S/C12H16N2O3S/c15-11(16)9-18-8-4-7-13-12(17)14-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2,(H,15,16)(H2,13,14,17)