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

Systemtic Name: 1-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-(4-pyridin-2-ylsulfanylphenyl)urea Openeye Name: 1-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-[4-(2-pyridylsulfanyl)phenyl]urea CAS Name: 1-[2-methyl-6-[3-(4-phenyl-1-piperazinyl)propoxy]phenyl]-3-[4-(2-pyridinylthio)phenyl]urea IUPAC Name: 1-[2-methyl-6-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]-3-(4-pyridin-2-ylsulfanylphenyl)urea Traditional Name: 1-[2-methyl-6-[3-(4-phenylpiperazino)propoxy]phenyl]-3-[4-(2-pyridylthio)phenyl]urea Formula: C32H35N5O2S MolecularWeight: 553.7176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H35N5O2S/c1-25-9-7-12-29(39-24-8-19-36-20-22-37(23-21-36)27-10-3-2-4-11-27)31(25)35-32(38)34-26-14-16-28(17-15-26)40-30-13-5-6-18-33-30/h2-7,9-18H,8,19-24H2,1H3,(H2,34,35,38)