benzoic acid; 2-oxidanylpropyl carbamimidothioate

Systemtic Name: benzoic acid; 2-oxidanylpropyl carbamimidothioate Openeye Name: benzoic acid; 2-(2-hydroxypropyl)isothiourea CAS Name: benzoic acid; carbamimidothioic acid 2-hydroxypropyl ester IUPAC Name: benzoic acid; 2-hydroxypropyl carbamimidothioate Traditional Name: benzoic acid; 2-(2-hydroxypropyl)isothiourea Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C4H10N2OS/c8-7(9)6-4-2-1-3-5-6;1-3(7)2-8-4(5)6/h1-5H,(H,8,9);3,7H,2H2,1H3,(H3,5,6)