bis(4-fluorophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: bis(4-fluorophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[bis(4-fluorophenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid bis(4-fluorophenyl)methyl ester IUPAC Name: bis(4-fluorophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-[bis(4-fluorophenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea Formula: C18H20F2N2S MolecularWeight: 334.426606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(N)SC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C18H20F2N2S/c1-3-12(2)22-18(21)23-17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-12,17H,3H2,1-2H3,(H2,21,22)/t12-/m0/s1