(3-chlorophenyl)methyl N'-(2-methylpropyl)carbamimidothioate

Systemtic Name: (3-chlorophenyl)methyl N'-(2-methylpropyl)carbamimidothioate Openeye Name: 2-[(3-chlorophenyl)methyl]-3-isobutyl-isothiourea CAS Name: N'-(2-methylpropyl)carbamimidothioic acid (3-chlorophenyl)methyl ester IUPAC Name: (3-chlorophenyl)methyl N'-(2-methylpropyl)carbamimidothioate Traditional Name: 2-(3-chlorobenzyl)-3-isobutyl-isothiourea Formula: C12H17ClN2S MolecularWeight: 256.79478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17ClN2S/c1-9(2)7-15-12(14)16-8-10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3,(H2,14,15)