5-azanyl-5-oxidanylidene-2-(phenylcarbamothioylamino)pentanoic acid

Systemtic Name: 5-azanyl-5-oxidanylidene-2-(phenylcarbamothioylamino)pentanoic acid Openeye Name: 5-amino-5-oxo-2-(phenylcarbamothioylamino)pentanoic acid CAS Name: 5-amino-2-[[anilino(sulfanylidene)methyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-5-oxo-2-(phenylcarbamothioylamino)pentanoic acid Traditional Name: 5-amino-5-keto-2-(phenylthiocarbamoylamino)valeric acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O3S/c13-10(16)7-6-9(11(17)18)15-12(19)14-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,16)(H,17,18)(H2,14,15,19)