2-(4-chlorophenyl)sulfanylethyl carbamimidothioate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl carbamimidothioate Openeye Name: 2-[2-(4-chlorophenyl)sulfanylethyl]isothiourea CAS Name: carbamimidothioic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl carbamimidothioate Traditional Name: 2-[2-[(4-chlorophenyl)thio]ethyl]isothiourea Formula: C9H11ClN2S2 MolecularWeight: 246.78004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCSC(=N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCSC(=N)N)Cl

InChI

InChI=1S/C9H11ClN2S2/c10-7-1-3-8(4-2-7)13-5-6-14-9(11)12/h1-4H,5-6H2,(H3,11,12)