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

Systemtic Name: N-[1,3-bis(oxidanyl)-2-phenyl-propyl]-N-carbamothioyl-carbamate Openeye Name: N-carbamothioyl-N-(1,3-dihydroxy-2-phenyl-propyl)carbamate CAS Name: N-carbamothioyl-N-(1,3-dihydroxy-2-phenylpropyl)carbamate IUPAC Name: N-carbamothioyl-N-(1,3-dihydroxy-2-phenylpropyl)carbamate Traditional Name: N-(1,3-dihydroxy-2-phenyl-propyl)-N-thiocarbamoyl-carbamate Formula: C11H13N2O4S- MolecularWeight: 269.29692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O4S/c12-10(18)13(11(16)17)9(15)8(6-14)7-4-2-1-3-5-7/h1-5,8-9,14-15H,6H2,(H2,12,18)(H,16,17)/p-1