1-hexyl-1-[4-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]methoxy]butyl]-3-sulfanyl-urea

Systemtic Name: 1-hexyl-1-[4-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]methoxy]butyl]-3-sulfanyl-urea Openeye Name: 1-hexyl-1-[4-[[3-(p-tolylsulfonylcarbamoylamino)phenyl]methoxy]butyl]-3-sulfanyl-urea CAS Name: 1-hexyl-3-mercapto-1-[4-[[3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]phenyl]methoxy]butyl]urea IUPAC Name: 1-hexyl-1-[4-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]methoxy]butyl]-3-sulfanylurea Traditional Name: 1-hexyl-3-mercapto-1-[4-[3-(tosylcarbamoylamino)benzyl]oxybutyl]urea Formula: C26H38N4O5S2 MolecularWeight: 550.73372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCOCC1=CC(=CC=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)NS

Isomeric SMILES

CCCCCCN(CCCCOCC1=CC(=CC=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)NS

InChI

InChI=1S/C26H38N4O5S2/c1-3-4-5-6-16-30(26(32)28-36)17-7-8-18-35-20-22-10-9-11-23(19-22)27-25(31)29-37(33,34)24-14-12-21(2)13-15-24/h9-15,19,36H,3-8,16-18,20H2,1-2H3,(H,28,32)(H2,27,29,31)