1-[2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]urea

Systemtic Name: 1-[2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]urea Openeye Name: [2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]urea CAS Name: [2-(methylthio)-5-[1-oxo-5-(4-phenyl-1-piperazinyl)pentyl]phenyl]urea IUPAC Name: [2-methylsulfanyl-5-[5-(4-phenylpiperazin-1-yl)pentanoyl]phenyl]urea Traditional Name: [2-(methylthio)-5-[5-(4-phenylpiperazino)pentanoyl]phenyl]urea Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)CCCCN2CCN(CC2)C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C23H30N4O2S/c1-30-22-11-10-18(17-20(22)25-23(24)29)21(28)9-5-6-12-26-13-15-27(16-14-26)19-7-3-2-4-8-19/h2-4,7-8,10-11,17H,5-6,9,12-16H2,1H3,(H3,24,25,29)