1-[2-methylsulfanyl-5-[1-oxidanyl-5-(4-phenylpiperazin-1-yl)pentyl]phenyl]thiourea

Systemtic Name: 1-[2-methylsulfanyl-5-[1-oxidanyl-5-(4-phenylpiperazin-1-yl)pentyl]phenyl]thiourea Openeye Name: [5-[1-hydroxy-5-(4-phenylpiperazin-1-yl)pentyl]-2-methylsulfanyl-phenyl]thiourea CAS Name: [5-[1-hydroxy-5-(4-phenyl-1-piperazinyl)pentyl]-2-(methylthio)phenyl]thiourea IUPAC Name: [5-[1-hydroxy-5-(4-phenylpiperazin-1-yl)pentyl]-2-methylsulfanylphenyl]thiourea Traditional Name: [5-[1-hydroxy-5-(4-phenylpiperazino)pentyl]-2-(methylthio)phenyl]thiourea Formula: C23H32N4OS2 MolecularWeight: 444.65638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4OS2/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/h2-4,7-8,10-11,17,21,28H,5-6,9,12-16H2,1H3,(H3,24,25,29)