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

Systemtic Name: (4-phenylphenyl)methyl N'-(3-methylbutyl)carbamimidothioate Openeye Name: 3-isopentyl-2-[(4-phenylphenyl)methyl]isothiourea CAS Name: N'-(3-methylbutyl)carbamimidothioic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl N'-(3-methylbutyl)carbamimidothioate Traditional Name: 3-isoamyl-2-(4-phenylbenzyl)isothiourea Formula: C19H24N2S MolecularWeight: 312.47226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2S/c1-15(2)12-13-21-19(20)22-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15H,12-14H2,1-2H3,(H2,20,21)