3-[ethoxy(oxidanyl)methyl]-1,1-bis(4-octylphenyl)thiourea

Systemtic Name: 3-[ethoxy(oxidanyl)methyl]-1,1-bis(4-octylphenyl)thiourea Openeye Name: 3-[ethoxy(hydroxy)methyl]-1,1-bis(4-octylphenyl)thiourea CAS Name: 3-[ethoxy(hydroxy)methyl]-1,1-bis(4-octylphenyl)thiourea IUPAC Name: 3-[ethoxy(hydroxy)methyl]-1,1-bis(4-octylphenyl)thiourea Traditional Name: 3-[ethoxy(hydroxy)methyl]-1,1-bis(4-octylphenyl)thiourea Formula: C32H50N2O2S MolecularWeight: 526.8166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCCCCCCC)C(=S)NC(O)OCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)N(C2=CC=C(C=C2)CCCCCCCC)C(=S)NC(O)OCC

InChI

InChI=1S/C32H50N2O2S/c1-4-7-9-11-13-15-17-27-19-23-29(24-20-27)34(31(37)33-32(35)36-6-3)30-25-21-28(22-26-30)18-16-14-12-10-8-5-2/h19-26,32,35H,4-18H2,1-3H3,(H,33,37)