propyl N-[(4-chlorophenyl)methyl]-N'-methyl-carbamimidothioate

Systemtic Name: propyl N-[(4-chlorophenyl)methyl]-N'-methyl-carbamimidothioate Openeye Name: 1-[(4-chlorophenyl)methyl]-3-methyl-2-propyl-isothiourea CAS Name: N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioic acid propyl ester IUPAC Name: propyl N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioate Traditional Name: 1-(4-chlorobenzyl)-3-methyl-2-propyl-isothiourea Formula: C12H17ClN2S MolecularWeight: 256.79478

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=NC)NCC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCSC(=NC)NCC1=CC=C(C=C1)Cl

InChI

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