1-(4-methylsulfanylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea

Systemtic Name: 1-(4-methylsulfanylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Openeye Name: 1-(4-methylsulfanylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea CAS Name: 1-[4-(methylthio)phenyl]-3-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]urea IUPAC Name: 1-(4-methylsulfanylphenyl)-3-[4-(4-octanoylpiperazin-1-yl)phenyl]urea Traditional Name: 1-[4-(4-caprylylpiperazino)phenyl]-3-[4-(methylthio)phenyl]urea Formula: C26H36N4O2S MolecularWeight: 468.65464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C26H36N4O2S/c1-3-4-5-6-7-8-25(31)30-19-17-29(18-20-30)23-13-9-21(10-14-23)27-26(32)28-22-11-15-24(33-2)16-12-22/h9-16H,3-8,17-20H2,1-2H3,(H2,27,28,32)