[2-(3-chloranylpropoxy)-5-methyl-phenyl]methyl carbamimidothioate

Systemtic Name: [2-(3-chloranylpropoxy)-5-methyl-phenyl]methyl carbamimidothioate Openeye Name: 2-[[2-(3-chloropropoxy)-5-methyl-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2-(3-chloropropoxy)-5-methylphenyl]methyl ester IUPAC Name: [2-(3-chloropropoxy)-5-methylphenyl]methyl carbamimidothioate Traditional Name: 2-[2-(3-chloropropoxy)-5-methyl-benzyl]isothiourea Formula: C12H17ClN2OS MolecularWeight: 272.79418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCl)CSC(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCl)CSC(=N)N

InChI

InChI=1S/C12H17ClN2OS/c1-9-3-4-11(16-6-2-5-13)10(7-9)8-17-12(14)15/h3-4,7H,2,5-6,8H2,1H3,(H3,14,15)