1-hexadecyl-3-[4-[4-(hexadecylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea

Systemtic Name: 1-hexadecyl-3-[4-[4-(hexadecylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea Openeye Name: 1-hexadecyl-3-[4-[4-(hexadecylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea CAS Name: 1-hexadecyl-3-[4-[4-[[(hexadecylamino)-sulfanylidenemethyl]amino]phenyl]sulfonylphenyl]thiourea IUPAC Name: 1-hexadecyl-3-[4-[4-(hexadecylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea Traditional Name: 1-cetyl-3-[4-[4-(cetylthiocarbamoylamino)phenyl]sulfonylphenyl]thiourea Formula: C46H78N4O2S3 MolecularWeight: 815.33212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCCCCCCCCCCCCCCC

InChI

InChI=1S/C46H78N4O2S3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39-47-45(53)49-41-31-35-43(36-32-41)55(51,52)44-37-33-42(34-38-44)50-46(54)48-40-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-38H,3-30,39-40H2,1-2H3,(H2,47,49,53)(H2,48,50,54)