1-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-3-pentadecan-7-yl-urea

Systemtic Name: 1-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-3-pentadecan-7-yl-urea Openeye Name: 1-(1-hexylnonyl)-3-[[3-(m-tolyl)-1,2,4-thiadiazol-5-yl]amino]urea CAS Name: 1-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-3-pentadecan-7-ylurea IUPAC Name: 1-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]amino]-3-pentadecan-7-ylurea Traditional Name: 1-(1-hexylnonyl)-3-[[3-(m-tolyl)-1,2,4-thiadiazol-5-yl]amino]urea Formula: C25H41N5OS MolecularWeight: 459.69094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N5OS/c1-4-6-8-10-11-13-18-22(17-12-9-7-5-2)26-24(31)28-29-25-27-23(30-32-25)21-16-14-15-20(3)19-21/h14-16,19,22H,4-13,17-18H2,1-3H3,(H2,26,28,31)(H,27,29,30)