(4-bromophenyl)methyl N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: (4-bromophenyl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 2-[(4-bromophenyl)methyl]-3-isopentyl-isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 2-(4-bromobenzyl)-3-isoamyl-isothiourea Formula: C13H19BrN2S MolecularWeight: 315.27236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C(N)SCC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)CCN=C(N)SCC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H19BrN2S/c1-10(2)7-8-16-13(15)17-9-11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3,(H2,15,16)