(3-chlorophenyl)methyl N'-tert-butylcarbamimidothioate

Systemtic Name: (3-chlorophenyl)methyl N'-tert-butylcarbamimidothioate Openeye Name: 3-tert-butyl-2-[(3-chlorophenyl)methyl]isothiourea CAS Name: N'-tert-butylcarbamimidothioic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl N'-tert-butylcarbamimidothioate Traditional Name: 3-tert-butyl-2-(3-chlorobenzyl)isothiourea Formula: C12H17ClN2S MolecularWeight: 256.79478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(N)SCC1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C)(C)N=C(N)SCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C12H17ClN2S/c1-12(2,3)15-11(14)16-8-9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3,(H2,14,15)