1-heptadecan-9-yl-3-[[3-(3-sulfinamoyloxyphenyl)-1,2,4-thiadiazol-5-yl]amino]urea

Systemtic Name: 1-heptadecan-9-yl-3-[[3-(3-sulfinamoyloxyphenyl)-1,2,4-thiadiazol-5-yl]amino]urea Openeye Name: 1-(1-octylnonyl)-3-[[3-(3-sulfinamoyloxyphenyl)-1,2,4-thiadiazol-5-yl]amino]urea CAS Name: 1-heptadecan-9-yl-3-[[3-(3-sulfinamoyloxyphenyl)-1,2,4-thiadiazol-5-yl]amino]urea IUPAC Name: 1-heptadecan-9-yl-3-[[3-(3-sulfinamoyloxyphenyl)-1,2,4-thiadiazol-5-yl]amino]urea Traditional Name: 1-(1-octylnonyl)-3-[[3-(3-sulfinamoyloxyphenyl)-1,2,4-thiadiazol-5-yl]amino]urea Formula: C26H44N6O3S2 MolecularWeight: 552.79596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)NC(=O)NNC1=NC(=NS1)C2=CC(=CC=C2)OS(=O)N

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)NC(=O)NNC1=NC(=NS1)C2=CC(=CC=C2)OS(=O)N

InChI

InChI=1S/C26H44N6O3S2/c1-3-5-7-9-11-13-17-22(18-14-12-10-8-6-4-2)28-25(33)30-31-26-29-24(32-36-26)21-16-15-19-23(20-21)35-37(27)34/h15-16,19-20,22H,3-14,17-18,27H2,1-2H3,(H2,28,30,33)(H,29,31,32)