4-azanyl-4-oxidanylidene-2-(phenylcarbamothioylamino)butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-(phenylcarbamothioylamino)butanoic acid Openeye Name: 4-amino-4-oxo-2-(phenylcarbamothioylamino)butanoic acid CAS Name: 4-amino-2-[[anilino(sulfanylidene)methyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-4-oxo-2-(phenylcarbamothioylamino)butanoic acid Traditional Name: 4-amino-4-keto-2-(phenylthiocarbamoylamino)butyric acid Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O3S/c12-9(15)6-8(10(16)17)14-11(18)13-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,15)(H,16,17)(H2,13,14,18)