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

Systemtic Name: 1-(3-dodecoxypropyl)-3-[[3-(phenylmethylsulfanyl)-1,2,4-thiadiazol-5-yl]amino]urea Openeye Name: 1-[(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-(3-dodecoxypropyl)urea CAS Name: 1-(3-dodecoxypropyl)-3-[[3-(phenylmethylthio)-1,2,4-thiadiazol-5-yl]amino]urea IUPAC Name: 1-[(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-3-(3-dodecoxypropyl)urea Traditional Name: 1-[[3-(benzylthio)-1,2,4-thiadiazol-5-yl]amino]-3-(3-lauryloxypropyl)urea Formula: C25H41N5O2S2 MolecularWeight: 507.75534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)NNC1=NC(=NS1)SCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)NNC1=NC(=NS1)SCC2=CC=CC=C2

InChI

InChI=1S/C25H41N5O2S2/c1-2-3-4-5-6-7-8-9-10-14-19-32-20-15-18-26-23(31)28-29-24-27-25(30-34-24)33-21-22-16-12-11-13-17-22/h11-13,16-17H,2-10,14-15,18-21H2,1H3,(H2,26,28,31)(H,27,29,30)