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

Systemtic Name: cyclohexylmethyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Openeye Name: 2-(cyclohexylmethyl)-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea CAS Name: N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl N'-[4-[(2S)-butan-2-yl]phenyl]carbamimidothioate Traditional Name: 2-(cyclohexylmethyl)-3-[4-[(1S)-1-methylpropyl]phenyl]isothiourea Formula: C18H28N2S MolecularWeight: 304.49332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N=C(N)SCC2CCCCC2

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)N=C(N)SCC2CCCCC2

InChI

InChI=1S/C18H28N2S/c1-3-14(2)16-9-11-17(12-10-16)20-18(19)21-13-15-7-5-4-6-8-15/h9-12,14-15H,3-8,13H2,1-2H3,(H2,19,20)/t14-/m0/s1