1-(2-hexyldecyl)-3-[[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino]urea

Systemtic Name: 1-(2-hexyldecyl)-3-[[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino]urea Openeye Name: 1-[(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-(2-hexyldecyl)urea CAS Name: 1-(2-hexyldecyl)-3-[[3-(phenylmethylthio)-1,2,4-thiadiazol-5-yl]amino]urea IUPAC Name: 1-[(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-(2-hexyldecyl)urea Traditional Name: 1-[[3-(benzylthio)-1,2,4-thiadiazol-5-yl]amino]-3-(2-hexyldecyl)urea Formula: C26H43N5OS2 MolecularWeight: 505.78252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)CNC(=O)NNC1=NC(=NS1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC(CCCCCC)CNC(=O)NNC1=NC(=NS1)SCC2=CC=CC=C2

InChI

InChI=1S/C26H43N5OS2/c1-3-5-7-9-10-13-17-22(16-12-8-6-4-2)20-27-24(32)29-30-25-28-26(31-34-25)33-21-23-18-14-11-15-19-23/h11,14-15,18-19,22H,3-10,12-13,16-17,20-21H2,1-2H3,(H2,27,29,32)(H,28,30,31)