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

Systemtic Name: (4-tert-butylphenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea CAS Name: N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Traditional Name: 2-(4-tert-butylbenzyl)-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea Formula: C22H30N2S MolecularWeight: 354.552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=C(N)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N=C(N)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H30N2S/c1-6-16(2)18-9-13-20(14-10-18)24-21(23)25-15-17-7-11-19(12-8-17)22(3,4)5/h7-14,16H,6,15H2,1-5H3,(H2,23,24)/t16-/m0/s1