1-octadecyl-3-[4-[1-[4-(octadecylcarbamothioylamino)phenyl]ethyl]phenyl]thiourea

Systemtic Name: 1-octadecyl-3-[4-[1-[4-(octadecylcarbamothioylamino)phenyl]ethyl]phenyl]thiourea Openeye Name: 1-octadecyl-3-[4-[1-[4-(octadecylcarbamothioylamino)phenyl]ethyl]phenyl]thiourea CAS Name: 1-octadecyl-3-[4-[1-[4-[[(octadecylamino)-sulfanylidenemethyl]amino]phenyl]ethyl]phenyl]thiourea IUPAC Name: 1-octadecyl-3-[4-[1-[4-(octadecylcarbamothioylamino)phenyl]ethyl]phenyl]thiourea Traditional Name: 1-stearyl-3-[4-[1-[4-(stearylthiocarbamoylamino)phenyl]ethyl]phenyl]thiourea Formula: C52H90N4S2 MolecularWeight: 835.4278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NC1=CC=C(C=C1)C(C)C2=CC=C(C=C2)NC(=S)NCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NC1=CC=C(C=C1)C(C)C2=CC=C(C=C2)NC(=S)NCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C52H90N4S2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-44-53-51(57)55-49-40-36-47(37-41-49)46(3)48-38-42-50(43-39-48)56-52(58)54-45-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h36-43,46H,4-35,44-45H2,1-3H3,(H2,53,55,57)(H2,54,56,58)