benzoic acid; (3-methoxy-2-oxidanyl-propyl) carbamimidothioate

Systemtic Name: benzoic acid; (3-methoxy-2-oxidanyl-propyl) carbamimidothioate Openeye Name: benzoic acid; 2-(2-hydroxy-3-methoxy-propyl)isothiourea CAS Name: benzoic acid; carbamimidothioic acid (2-hydroxy-3-methoxypropyl) ester IUPAC Name: benzoic acid; (2-hydroxy-3-methoxypropyl) carbamimidothioate Traditional Name: benzoic acid; 2-(2-hydroxy-3-methoxy-propyl)isothiourea Formula: C12H18N2O4S MolecularWeight: 286.34732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C5H12N2O2S/c8-7(9)6-4-2-1-3-5-6;1-9-2-4(8)3-10-5(6)7/h1-5H,(H,8,9);4,8H,2-3H2,1H3,(H3,6,7)