[4-[(methylcarbamothioylamino)carbamoyl]phenyl]boronic acid

Systemtic Name: [4-[(methylcarbamothioylamino)carbamoyl]phenyl]boronic acid Openeye Name: [4-[(methylcarbamothioylamino)carbamoyl]phenyl]boronic acid CAS Name: [4-[[[methylamino(sulfanylidene)methyl]hydrazo]-oxomethyl]phenyl]boronic acid IUPAC Name: [4-[(methylcarbamothioylamino)carbamoyl]phenyl]boronic acid Traditional Name: [4-[(methylthiocarbamoylamino)carbamoyl]phenyl]boronic acid Formula: C9H12BN3O3S MolecularWeight: 253.08588

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC=C(C=C1)C(=O)NNC(=S)NC)(O)O

Isomeric SMILES

B(C1=CC=C(C=C1)C(=O)NNC(=S)NC)(O)O

InChI

InChI=1S/C9H12BN3O3S/c1-11-9(17)13-12-8(14)6-2-4-7(5-3-6)10(15)16/h2-5,15-16H,1H3,(H,12,14)(H2,11,13,17)