2-[6-(phenylcarbamoylamino)hexylcarbamoylsulfanyl]ethanoic acid

Systemtic Name: 2-[6-(phenylcarbamoylamino)hexylcarbamoylsulfanyl]ethanoic acid Openeye Name: 2-[6-(phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid CAS Name: 2-[[[6-[[anilino(oxo)methyl]amino]hexylamino]-oxomethyl]thio]acetic acid IUPAC Name: 2-[6-(phenylcarbamoylamino)hexylcarbamoylsulfanyl]acetic acid Traditional Name: 2-[6-(phenylcarbamoylamino)hexylcarbamoylthio]acetic acid Formula: C16H23N3O4S MolecularWeight: 353.43652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NCCCCCCNC(=O)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NCCCCCCNC(=O)SCC(=O)O

InChI

InChI=1S/C16H23N3O4S/c20-14(21)12-24-16(23)18-11-7-2-1-6-10-17-15(22)19-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,18,23)(H,20,21)(H2,17,19,22)