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

Systemtic Name: 1-octadecyl-3-[4-[4-(octadecylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea Openeye Name: 1-octadecyl-3-[4-[4-(octadecylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea CAS Name: 1-octadecyl-3-[4-[4-[[(octadecylamino)-sulfanylidenemethyl]amino]phenyl]sulfonylphenyl]thiourea IUPAC Name: 1-octadecyl-3-[4-[4-(octadecylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea Traditional Name: 1-stearyl-3-[4-[4-(stearylthiocarbamoylamino)phenyl]sulfonylphenyl]thiourea Formula: C50H86N4O2S3 MolecularWeight: 871.43844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C50H86N4O2S3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-51-49(57)53-45-35-39-47(40-36-45)59(55,56)48-41-37-46(38-42-48)54-50(58)52-44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42H,3-34,43-44H2,1-2H3,(H2,51,53,57)(H2,52,54,58)