4-azanyl-4-oxidanylidene-2-[(phenylmethyl)carbamothioylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[(phenylmethyl)carbamothioylamino]butanoic acid Openeye Name: 4-amino-2-(benzylcarbamothioylamino)-4-oxo-butanoic acid CAS Name: 4-amino-4-oxo-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]butanoic acid IUPAC Name: 4-amino-2-(benzylcarbamothioylamino)-4-oxobutanoic acid Traditional Name: 4-amino-2-(benzylthiocarbamoylamino)-4-keto-butyric acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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