(2-methylphenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate

Systemtic Name: (2-methylphenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Openeye Name: 3-[4-[(1S)-1-methylpropyl]phenyl]-2-(o-tolylmethyl)isothiourea CAS Name: N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Traditional Name: 2-(2-methylbenzyl)-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea Formula: C19H24N2S MolecularWeight: 312.47226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=C(N)SCC2=CC=CC=C2C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N=C(N)SCC2=CC=CC=C2C

InChI

InChI=1S/C19H24N2S/c1-4-14(2)16-9-11-18(12-10-16)21-19(20)22-13-17-8-6-5-7-15(17)3/h5-12,14H,4,13H2,1-3H3,(H2,20,21)/t14-/m0/s1