1-[2-methyl-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]-3-(4-pyridin-2-ylsulfanylphenyl)urea

Systemtic Name: 1-[2-methyl-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]-3-(4-pyridin-2-ylsulfanylphenyl)urea Openeye Name: 1-[2-methyl-6-[3-[4-(2-pyridyl)piperazin-1-yl]propoxy]phenyl]-3-[4-(2-pyridylsulfanyl)phenyl]urea CAS Name: 1-[2-methyl-6-[3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]phenyl]-3-[4-(2-pyridinylthio)phenyl]urea IUPAC Name: 1-[2-methyl-6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]-3-(4-pyridin-2-ylsulfanylphenyl)urea Traditional Name: 1-[2-methyl-6-[3-[4-(2-pyridyl)piperazino]propoxy]phenyl]-3-[4-(2-pyridylthio)phenyl]urea Formula: C31H34N6O2S MolecularWeight: 554.70566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCCN2CCN(CC2)C3=CC=CC=N3)NC(=O)NC4=CC=C(C=C4)SC5=CC=CC=N5

Isomeric SMILES

CC1=C(C(=CC=C1)OCCCN2CCN(CC2)C3=CC=CC=N3)NC(=O)NC4=CC=C(C=C4)SC5=CC=CC=N5

InChI

InChI=1S/C31H34N6O2S/c1-24-8-6-9-27(39-23-7-18-36-19-21-37(22-20-36)28-10-2-4-16-32-28)30(24)35-31(38)34-25-12-14-26(15-13-25)40-29-11-3-5-17-33-29/h2-6,8-17H,7,18-23H2,1H3,(H2,34,35,38)