(4-methylsulfanylphenyl)methyl N'-propylcarbamimidothioate

Systemtic Name: (4-methylsulfanylphenyl)methyl N'-propylcarbamimidothioate Openeye Name: 2-[(4-methylsulfanylphenyl)methyl]-3-propyl-isothiourea CAS Name: N'-propylcarbamimidothioic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl N'-propylcarbamimidothioate Traditional Name: 2-[4-(methylthio)benzyl]-3-propyl-isothiourea Formula: C12H18N2S2 MolecularWeight: 254.41472

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(N)SCC1=CC=C(C=C1)SC

Isomeric SMILES

CCCN=C(N)SCC1=CC=C(C=C1)SC

InChI

InChI=1S/C12H18N2S2/c1-3-8-14-12(13)16-9-10-4-6-11(15-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H2,13,14)