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2-[(phenylmethyl)carbamothioylamino]butanedioic acid

2-[(phenylmethyl)carbamothioylamino]butanedioic acid

Systemtic Name:2-[(phenylmethyl)carbamothioylamino]butanedioic acid
Openeye Name:2-(benzylcarbamothioylamino)butanedioic acid
CAS Name:2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]butanedioic acid
IUPAC Name:2-(benzylcarbamothioylamino)butanedioic acid
Traditional Name:2-(benzylthiocarbamoylamino)succinic acid
Formula: C12H14N2O4S
MolecularWeight: 282.31556
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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)NC(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)


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