methyl N'-[2-(1-phenylethylsulfanyl)ethyl]carbamimidothioate

Systemtic Name: methyl N'-[2-(1-phenylethylsulfanyl)ethyl]carbamimidothioate Openeye Name: 2-methyl-3-[2-(1-phenylethylsulfanyl)ethyl]isothiourea CAS Name: N'-[2-(1-phenylethylthio)ethyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[2-(1-phenylethylsulfanyl)ethyl]carbamimidothioate Traditional Name: 2-methyl-3-[2-(1-phenylethylthio)ethyl]isothiourea Formula: C12H18N2S2 MolecularWeight: 254.41472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)SCCN=C(N)SC

Isomeric SMILES

CC(C1=CC=CC=C1)SCCN=C(N)SC

InChI

InChI=1S/C12H18N2S2/c1-10(11-6-4-3-5-7-11)16-9-8-14-12(13)15-2/h3-7,10H,8-9H2,1-2H3,(H2,13,14)