butanedioic acid; (phenylmethyl) carbamimidothioate

Systemtic Name: butanedioic acid; (phenylmethyl) carbamimidothioate Openeye Name: 2-benzylisothiourea; succinic acid CAS Name: butanedioic acid; carbamimidothioic acid (phenylmethyl) ester IUPAC Name: benzyl carbamimidothioate; butanedioic acid Traditional Name: 2-benzylisothiourea; succinic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2S.C4H6O4/c9-8(10)11-6-7-4-2-1-3-5-7;5-3(6)1-2-4(7)8/h1-5H,6H2,(H3,9,10);1-2H2,(H,5,6)(H,7,8)