(diphenylmethyl) N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate

Systemtic Name: (diphenylmethyl) N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate Openeye Name: 2-benzhydryl-3-[(1S)-1,5-dimethylhexyl]isothiourea CAS Name: N'-[(2S)-6-methylheptan-2-yl]carbamimidothioic acid (diphenylmethyl) ester IUPAC Name: benzhydryl N'-[(2S)-6-methylheptan-2-yl]carbamimidothioate Traditional Name: 2-benzhydryl-3-[(1S)-1,5-dimethylhexyl]isothiourea Formula: C22H30N2S MolecularWeight: 354.552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2S/c1-17(2)11-10-12-18(3)24-22(23)25-21(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h4-9,13-18,21H,10-12H2,1-3H3,(H2,23,24)/t18-/m0/s1