1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-3-(4-methylsulfanylphenyl)urea

Systemtic Name: 1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxidanylidene-pentan-2-yl]-3-(4-methylsulfanylphenyl)urea Openeye Name: 1-[2-methyl-1-(4-octanoylpiperazine-1-carbonyl)butyl]-3-(4-methylsulfanylphenyl)urea CAS Name: 1-[3-methyl-1-oxo-1-[4-(1-oxooctyl)-1-piperazinyl]pentan-2-yl]-3-[4-(methylthio)phenyl]urea IUPAC Name: 1-[3-methyl-1-(4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]-3-(4-methylsulfanylphenyl)urea Traditional Name: 1-[1-(4-caprylylpiperazine-1-carbonyl)-2-methyl-butyl]-3-[4-(methylthio)phenyl]urea Formula: C26H42N4O3S MolecularWeight: 490.70168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C(=O)C(C(C)CC)NC(=O)NC2=CC=C(C=C2)SC

InChI

InChI=1S/C26H42N4O3S/c1-5-7-8-9-10-11-23(31)29-16-18-30(19-17-29)25(32)24(20(3)6-2)28-26(33)27-21-12-14-22(34-4)15-13-21/h12-15,20,24H,5-11,16-19H2,1-4H3,(H2,27,28,33)