heptanoic acid; (phenylmethyl) carbamimidothioate

Systemtic Name: heptanoic acid; (phenylmethyl) carbamimidothioate Openeye Name: 2-benzylisothiourea; heptanoic acid CAS Name: carbamimidothioic acid (phenylmethyl) ester; heptanoic acid IUPAC Name: benzyl carbamimidothioate; heptanoic acid Traditional Name: 2-benzylisothiourea; enanthic acid Formula: C15H24N2O2S MolecularWeight: 296.42826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2S.C7H14O2/c9-8(10)11-6-7-4-2-1-3-5-7;1-2-3-4-5-6-7(8)9/h1-5H,6H2,(H3,9,10);2-6H2,1H3,(H,8,9)