[2-(2-azanylethyl)-4,5-bis(oxidanyl)phenyl] carbamimidothioate

Systemtic Name: [2-(2-azanylethyl)-4,5-bis(oxidanyl)phenyl] carbamimidothioate Openeye Name: 2-[2-(2-aminoethyl)-4,5-dihydroxy-phenyl]isothiourea CAS Name: carbamimidothioic acid [2-(2-aminoethyl)-4,5-dihydroxyphenyl] ester IUPAC Name: [2-(2-aminoethyl)-4,5-dihydroxyphenyl] carbamimidothioate Traditional Name: 2-[2-(2-aminoethyl)-4,5-dihydroxy-phenyl]isothiourea Formula: C9H13N3O2S MolecularWeight: 227.28342

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1O)O)SC(=N)N)CCN

Isomeric SMILES

C1=C(C(=CC(=C1O)O)SC(=N)N)CCN

InChI

InChI=1S/C9H13N3O2S/c10-2-1-5-3-6(13)7(14)4-8(5)15-9(11)12/h3-4,13-14H,1-2,10H2,(H3,11,12)