(4-decoxyphenyl)methyl N,N'-diphenylcarbamimidothioate

Systemtic Name: (4-decoxyphenyl)methyl N,N'-diphenylcarbamimidothioate Openeye Name: 2-[(4-decoxyphenyl)methyl]-1,3-diphenyl-isothiourea CAS Name: N,N'-diphenylcarbamimidothioic acid (4-decoxyphenyl)methyl ester IUPAC Name: (4-decoxyphenyl)methyl N,N'-diphenylcarbamimidothioate Traditional Name: 2-(4-decoxybenzyl)-1,3-diphenyl-isothiourea Formula: C30H38N2OS MolecularWeight: 474.70052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)CSC(=NC2=CC=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)CSC(=NC2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C30H38N2OS/c1-2-3-4-5-6-7-8-15-24-33-29-22-20-26(21-23-29)25-34-30(31-27-16-11-9-12-17-27)32-28-18-13-10-14-19-28/h9-14,16-23H,2-8,15,24-25H2,1H3,(H,31,32)