(4-phenylphenyl)methyl N'-butylcarbamimidothioate

Systemtic Name: (4-phenylphenyl)methyl N'-butylcarbamimidothioate Openeye Name: 3-butyl-2-[(4-phenylphenyl)methyl]isothiourea CAS Name: N'-butylcarbamimidothioic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl N'-butylcarbamimidothioate Traditional Name: 3-butyl-2-(4-phenylbenzyl)isothiourea Formula: C18H22N2S MolecularWeight: 298.44568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)SCC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCN=C(N)SCC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2S/c1-2-3-13-20-18(19)21-14-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12H,2-3,13-14H2,1H3,(H2,19,20)