2-[2-(phenylcarbonylcarbamothioylamino)ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-(phenylcarbonylcarbamothioylamino)ethanoylamino]ethanoic acid Openeye Name: 2-[[2-(benzoylcarbamothioylamino)acetyl]amino]acetic acid CAS Name: 2-[[2-[[benzamido(sulfanylidene)methyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-(benzoylcarbamothioylamino)acetyl]amino]acetic acid Traditional Name: 2-[[2-(benzoylthiocarbamoylamino)acetyl]amino]acetic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O4S/c16-9(13-7-10(17)18)6-14-12(20)15-11(19)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,16)(H,17,18)(H2,14,15,19,20)