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

Systemtic Name: (4-tert-butylphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(4-tert-butylphenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-(4-tert-butylbenzyl)-3-[(1S)-1-methylpropyl]isothiourea Formula: C16H26N2S MolecularWeight: 278.45604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(N)SCC1=CC=C(C=C1)C(C)(C)C

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=CC=C(C=C1)C(C)(C)C

InChI

InChI=1S/C16H26N2S/c1-6-12(2)18-15(17)19-11-13-7-9-14(10-8-13)16(3,4)5/h7-10,12H,6,11H2,1-5H3,(H2,17,18)/t12-/m0/s1