[2-(4-chloranylbutoxy)-5-methyl-phenyl]methyl carbamimidothioate

Systemtic Name: [2-(4-chloranylbutoxy)-5-methyl-phenyl]methyl carbamimidothioate Openeye Name: 2-[[2-(4-chlorobutoxy)-5-methyl-phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2-(4-chlorobutoxy)-5-methylphenyl]methyl ester IUPAC Name: [2-(4-chlorobutoxy)-5-methylphenyl]methyl carbamimidothioate Traditional Name: 2-[2-(4-chlorobutoxy)-5-methyl-benzyl]isothiourea Formula: C13H19ClN2OS MolecularWeight: 286.82076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2OS/c1-10-4-5-12(17-7-3-2-6-14)11(8-10)9-18-13(15)16/h4-5,8H,2-3,6-7,9H2,1H3,(H3,15,16)