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

Systemtic Name: 1-(3-dodecoxypropyl)-3-[[3-(3-isocyanophenyl)-1,2,4-thiadiazol-5-yl]amino]urea Openeye Name: 1-(3-dodecoxypropyl)-3-[[3-(3-isocyanophenyl)-1,2,4-thiadiazol-5-yl]amino]urea CAS Name: 1-(3-dodecoxypropyl)-3-[[3-(3-isocyanophenyl)-1,2,4-thiadiazol-5-yl]amino]urea IUPAC Name: 1-(3-dodecoxypropyl)-3-[[3-(3-isocyanophenyl)-1,2,4-thiadiazol-5-yl]amino]urea Traditional Name: 1-[[3-(3-isocyanophenyl)-1,2,4-thiadiazol-5-yl]amino]-3-(3-lauryloxypropyl)urea Formula: C25H38N6O2S MolecularWeight: 486.67322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCNC(=O)NNC1=NC(=NS1)C2=CC(=CC=C2)[N+]#[C-]

Isomeric SMILES

CCCCCCCCCCCCOCCCNC(=O)NNC1=NC(=NS1)C2=CC(=CC=C2)[N+]#[C-]

InChI

InChI=1S/C25H38N6O2S/c1-3-4-5-6-7-8-9-10-11-12-18-33-19-14-17-27-24(32)29-30-25-28-23(31-34-25)21-15-13-16-22(20-21)26-2/h13,15-16,20H,3-12,14,17-19H2,1H3,(H2,27,29,32)(H,28,30,31)