(2R)-2-(phenylcarbamothioylamino)pentanedioate

Systemtic Name: (2R)-2-(phenylcarbamothioylamino)pentanedioate Openeye Name: (2R)-2-(phenylcarbamothioylamino)pentanedioate CAS Name: (2R)-2-[[anilino(sulfanylidene)methyl]amino]pentanedioate IUPAC Name: (2R)-2-(phenylcarbamothioylamino)pentanedioate Traditional Name: (2R)-2-(phenylthiocarbamoylamino)glutarate Formula: C12H12N2O4S-2 MolecularWeight: 280.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)N[C@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C12H14N2O4S/c15-10(16)7-6-9(11(17)18)14-12(19)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)(H,17,18)(H2,13,14,19)/p-2/t9-/m1/s1