2-chloranylbenzoic acid; (phenylmethyl) carbamimidothioate

Systemtic Name: 2-chloranylbenzoic acid; (phenylmethyl) carbamimidothioate Openeye Name: 2-benzylisothiourea; 2-chlorobenzoic acid CAS Name: carbamimidothioic acid (phenylmethyl) ester; 2-chlorobenzoic acid IUPAC Name: benzyl carbamimidothioate; 2-chlorobenzoic acid Traditional Name: 2-benzylisothiourea; 2-chlorobenzoic acid Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2S.C7H5ClO2/c9-8(10)11-6-7-4-2-1-3-5-7;8-6-4-2-1-3-5(6)7(9)10/h1-5H,6H2,(H3,9,10);1-4H,(H,9,10)