1-octadecyl-3-[[4-(octadecylcarbamothioyldiazenyl)naphthalen-1-yl]amino]thiourea

Systemtic Name: 1-octadecyl-3-[[4-(octadecylcarbamothioyldiazenyl)naphthalen-1-yl]amino]thiourea Openeye Name: 1-octadecyl-3-[[4-(octadecylcarbamothioylazo)-1-naphthyl]amino]thiourea CAS Name: 1-octadecyl-3-[[4-[(octadecylamino)-sulfanylidenemethyl]azo-1-naphthalenyl]amino]thiourea IUPAC Name: 1-octadecyl-3-[[4-(octadecylcarbamothioyldiazenyl)naphthalen-1-yl]amino]thiourea Traditional Name: 1-stearyl-3-[[4-(stearylthiocarbamoylazo)-1-naphthyl]amino]thiourea Formula: C48H84N6S2 MolecularWeight: 809.35076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NNC1=CC=C(C2=CC=CC=C21)N=NC(=S)NCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NNC1=CC=C(C2=CC=CC=C21)N=NC(=S)NCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C48H84N6S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41-49-47(55)53-51-45-39-40-46(44-38-34-33-37-43(44)45)52-54-48(56)50-42-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-40,51H,3-32,35-36,41-42H2,1-2H3,(H,50,56)(H2,49,53,55)