N-[1,3-bis(oxidanyl)-2-phenyl-propyl]carbamothioate

Systemtic Name: N-[1,3-bis(oxidanyl)-2-phenyl-propyl]carbamothioate Openeye Name: N-(1,3-dihydroxy-2-phenyl-propyl)carbamothioate CAS Name: N-(1,3-dihydroxy-2-phenylpropyl)carbamothioate IUPAC Name: N-(1,3-dihydroxy-2-phenylpropyl)carbamothioate Traditional Name: N-(1,3-dihydroxy-2-phenyl-propyl)thiocarbamate Formula: C10H12NO3S- MolecularWeight: 226.27218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO3S/c12-6-8(9(13)11-10(14)15)7-4-2-1-3-5-7/h1-5,8-9,12-13H,6H2,(H2,11,14,15)/p-1