[2,6-bis(chloranyl)phenyl]methyl N'-butylcarbamimidothioate

Systemtic Name: [2,6-bis(chloranyl)phenyl]methyl N'-butylcarbamimidothioate Openeye Name: 3-butyl-2-[(2,6-dichlorophenyl)methyl]isothiourea CAS Name: N'-butylcarbamimidothioic acid (2,6-dichlorophenyl)methyl ester IUPAC Name: (2,6-dichlorophenyl)methyl N'-butylcarbamimidothioate Traditional Name: 3-butyl-2-(2,6-dichlorobenzyl)isothiourea Formula: C12H16Cl2N2S MolecularWeight: 291.23984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)SCC1=C(C=CC=C1Cl)Cl

Isomeric SMILES

CCCCN=C(N)SCC1=C(C=CC=C1Cl)Cl

InChI

InChI=1S/C12H16Cl2N2S/c1-2-3-7-16-12(15)17-8-9-10(13)5-4-6-11(9)14/h4-6H,2-3,7-8H2,1H3,(H2,15,16)