ethanoic acid; phenacyl carbamimidothioate

Systemtic Name: ethanoic acid; phenacyl carbamimidothioate Openeye Name: acetic acid; 2-phenacylisothiourea CAS Name: acetic acid; carbamimidothioic acid phenacyl ester IUPAC Name: acetic acid; phenacyl carbamimidothioate Traditional Name: acetic acid; 2-phenacylisothiourea Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2OS.C2H4O2/c10-9(11)13-6-8(12)7-4-2-1-3-5-7;1-2(3)4/h1-5H,6H2,(H3,10,11);1H3,(H,3,4)