1-[2-[2-(butylsulfonylamino)phenyl]-7-oxidanylidene-4-phenoxy-benzo[e]perimidin-6-yl]-3-octyl-urea

Systemtic Name: 1-[2-[2-(butylsulfonylamino)phenyl]-7-oxidanylidene-4-phenoxy-benzo[e]perimidin-6-yl]-3-octyl-urea Openeye Name: 1-[2-[2-(butylsulfonylamino)phenyl]-7-oxo-4-phenoxy-benzo[e]perimidin-6-yl]-3-octyl-urea CAS Name: 1-[2-[2-(butylsulfonylamino)phenyl]-7-oxo-4-phenoxy-6-benzo[e]perimidinyl]-3-octylurea IUPAC Name: 1-[2-[2-(butylsulfonylamino)phenyl]-7-oxo-4-phenoxybenzo[e]perimidin-6-yl]-3-octylurea Traditional Name: 1-[2-[2-(butylsulfonylamino)phenyl]-7-keto-4-phenoxy-benzo[e]perimidin-6-yl]-3-octyl-urea Formula: C40H43N5O5S MolecularWeight: 705.86492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC1=CC(=C2C3=C1C(=O)C4=CC=CC=C4C3=NC(=N2)C5=CC=CC=C5NS(=O)(=O)CCCC)OC6=CC=CC=C6

Isomeric SMILES

CCCCCCCCNC(=O)NC1=CC(=C2C3=C1C(=O)C4=CC=CC=C4C3=NC(=N2)C5=CC=CC=C5NS(=O)(=O)CCCC)OC6=CC=CC=C6

InChI

InChI=1S/C40H43N5O5S/c1-3-5-7-8-9-17-24-41-40(47)42-32-26-33(50-27-18-11-10-12-19-27)37-35-34(32)38(46)29-21-14-13-20-28(29)36(35)43-39(44-37)30-22-15-16-23-31(30)45-51(48,49)25-6-4-2/h10-16,18-23,26,45H,3-9,17,24-25H2,1-2H3,(H2,41,42,47)