(diphenylmethyl) N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (diphenylmethyl) N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-benzhydryl-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (diphenylmethyl) ester IUPAC Name: benzhydryl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-benzhydryl-3-[(1S)-1-methylpropyl]isothiourea Formula: C18H22N2S MolecularWeight: 298.44568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2S/c1-3-14(2)20-18(19)21-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,17H,3H2,1-2H3,(H2,19,20)/t14-/m0/s1