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

Systemtic Name: 1-heptadecan-9-yl-3-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]urea Openeye Name: 1-[[3-(m-tolyl)-1,2,4-thiadiazol-5-yl]amino]-3-(1-octylnonyl)urea CAS Name: 1-heptadecan-9-yl-3-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]urea IUPAC Name: 1-heptadecan-9-yl-3-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]urea Traditional Name: 1-[[3-(m-tolyl)-1,2,4-thiadiazol-5-yl]amino]-3-(1-octylnonyl)urea Formula: C27H45N5OS MolecularWeight: 487.7441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)NC(=O)NNC1=NC(=NS1)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)NC(=O)NNC1=NC(=NS1)C2=CC(=CC=C2)C

InChI

InChI=1S/C27H45N5OS/c1-4-6-8-10-12-14-19-24(20-15-13-11-9-7-5-2)28-26(33)30-31-27-29-25(32-34-27)23-18-16-17-22(3)21-23/h16-18,21,24H,4-15,19-20H2,1-3H3,(H2,28,30,33)(H,29,31,32)