N-phenylcarbamothioate; 3-sulfanylpropanoic acid

Systemtic Name: N-phenylcarbamothioate; 3-sulfanylpropanoic acid Openeye Name: N-phenylcarbamothioate; 3-sulfanylpropanoic acid CAS Name: 3-mercaptopropanoic acid; N-phenylcarbamothioate IUPAC Name: N-phenylcarbamothioate; 3-sulfanylpropanoic acid Traditional Name: 3-mercaptopropionic acid; N-phenylthiocarbamate Formula: C17H18N2O4S3-2 MolecularWeight: 410.53082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H7NOS.C3H6O2S/c2*9-7(10)8-6-4-2-1-3-5-6;4-3(5)1-2-6/h2*1-5H,(H2,8,9,10);6H,1-2H2,(H,4,5)/p-2