(4-oxidanylidene-4-phenyl-butyl) carbamimidothioate

Systemtic Name: (4-oxidanylidene-4-phenyl-butyl) carbamimidothioate Openeye Name: 2-(4-oxo-4-phenyl-butyl)isothiourea CAS Name: carbamimidothioic acid (4-oxo-4-phenylbutyl) ester IUPAC Name: (4-oxo-4-phenylbutyl) carbamimidothioate Traditional Name: 2-(4-keto-4-phenyl-butyl)isothiourea Formula: C11H14N2OS MolecularWeight: 222.30666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC(=N)N

InChI

InChI=1S/C11H14N2OS/c12-11(13)15-8-4-7-10(14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H3,12,13)