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nonanoic acid; (phenylmethyl) carbamimidothioate

nonanoic acid; (phenylmethyl) carbamimidothioate

Systemtic Name:nonanoic acid; (phenylmethyl) carbamimidothioate
Openeye Name:2-benzylisothiourea; nonanoic acid
CAS Name:carbamimidothioic acid (phenylmethyl) ester; nonanoic acid
IUPAC Name:benzyl carbamimidothioate; nonanoic acid
Traditional Name:2-benzylisothiourea; pelargonic acid
Formula: C17H28N2O2S
MolecularWeight: 324.48142
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C9H18O2.C8H10N2S/c1-2-3-4-5-6-7-8-9(10)11;9-8(10)11-6-7-4-2-1-3-5-7/h2-8H2,1H3,(H,10,11);1-5H,6H2,(H3,9,10)


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