(phenylmethyl) carbamimidothioate; propanoic acid

Systemtic Name: (phenylmethyl) carbamimidothioate; propanoic acid Openeye Name: 2-benzylisothiourea; propionic acid CAS Name: carbamimidothioic acid (phenylmethyl) ester; propanoic acid IUPAC Name: benzyl carbamimidothioate; propanoic acid Traditional Name: 2-benzylisothiourea; propionic acid Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)O.C1=CC=C(C=C1)CSC(=N)N

Isomeric SMILES

CCC(=O)O.C1=CC=C(C=C1)CSC(=N)N

InChI

InChI=1S/C8H10N2S.C3H6O2/c9-8(10)11-6-7-4-2-1-3-5-7;1-2-3(4)5/h1-5H,6H2,(H3,9,10);2H2,1H3,(H,4,5)