(2R)-2-[(phenylmethyl)carbamothioylamino]butanedioate

Systemtic Name: (2R)-2-[(phenylmethyl)carbamothioylamino]butanedioate Openeye Name: (2R)-2-(benzylcarbamothioylamino)butanedioate CAS Name: (2R)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]butanedioate IUPAC Name: (2R)-2-(benzylcarbamothioylamino)butanedioate Traditional Name: (2R)-2-(benzylthiocarbamoylamino)succinate Formula: C12H12N2O4S-2 MolecularWeight: 280.29968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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