1-[[3-(1-azanylethenyl)-1,2,4-thiadiazol-5-yl]amino]-3-(2-octyldodecyl)urea

Systemtic Name: 1-[[3-(1-azanylethenyl)-1,2,4-thiadiazol-5-yl]amino]-3-(2-octyldodecyl)urea Openeye Name: 1-[[3-(1-aminovinyl)-1,2,4-thiadiazol-5-yl]amino]-3-(2-octyldodecyl)urea CAS Name: 1-[[3-(1-aminoethenyl)-1,2,4-thiadiazol-5-yl]amino]-3-(2-octyldodecyl)urea IUPAC Name: 1-[[3-(1-aminoethenyl)-1,2,4-thiadiazol-5-yl]amino]-3-(2-octyldodecyl)urea Traditional Name: 1-[[3-(1-aminovinyl)-1,2,4-thiadiazol-5-yl]amino]-3-(2-octyldodecyl)urea Formula: C25H48N6OS MolecularWeight: 480.75322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCC)CNC(=O)NNC1=NC(=NS1)C(=C)N

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCC)CNC(=O)NNC1=NC(=NS1)C(=C)N

InChI

InChI=1S/C25H48N6OS/c1-4-6-8-10-12-13-15-17-19-22(18-16-14-11-9-7-5-2)20-27-24(32)29-30-25-28-23(21(3)26)31-33-25/h22H,3-20,26H2,1-2H3,(H2,27,29,32)(H,28,30,31)