1-hexadecyl-3-[[4-(hexadecylcarbamothioyldiazenyl)-5-methyl-2-propan-2-yl-phenyl]amino]thiourea

Systemtic Name: 1-hexadecyl-3-[[4-(hexadecylcarbamothioyldiazenyl)-5-methyl-2-propan-2-yl-phenyl]amino]thiourea Openeye Name: 1-hexadecyl-3-[4-(hexadecylcarbamothioylazo)-2-isopropyl-5-methyl-anilino]thiourea CAS Name: 1-hexadecyl-3-[4-[(hexadecylamino)-sulfanylidenemethyl]azo-5-methyl-2-propan-2-ylanilino]thiourea IUPAC Name: 1-hexadecyl-3-[4-(hexadecylcarbamothioyldiazenyl)-5-methyl-2-propan-2-ylanilino]thiourea Traditional Name: 1-cetyl-3-[4-(cetylthiocarbamoylazo)-2-isopropyl-5-methyl-anilino]thiourea Formula: C44H82N6S2 MolecularWeight: 759.29208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NNC1=CC(=C(C=C1C(C)C)N=NC(=S)NCCCCCCCCCCCCCCCC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NNC1=CC(=C(C=C1C(C)C)N=NC(=S)NCCCCCCCCCCCCCCCC)C

InChI

InChI=1S/C44H82N6S2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-45-43(51)49-47-41-37-40(38(3)4)42(36-39(41)5)48-50-44(52)46-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36-38,48H,6-35H2,1-5H3,(H,45,51)(H2,46,50,52)