1-(4-cyclopentylsulfanylphenyl)-3-[(6-morpholin-4-ylpyridin-3-yl)methyl]urea

Systemtic Name: 1-(4-cyclopentylsulfanylphenyl)-3-[(6-morpholin-4-ylpyridin-3-yl)methyl]urea Openeye Name: 1-(4-cyclopentylsulfanylphenyl)-3-[(6-morpholino-3-pyridyl)methyl]urea CAS Name: 1-[4-(cyclopentylthio)phenyl]-3-[[6-(4-morpholinyl)-3-pyridinyl]methyl]urea IUPAC Name: 1-(4-cyclopentylsulfanylphenyl)-3-[(6-morpholin-4-ylpyridin-3-yl)methyl]urea Traditional Name: 1-[4-(cyclopentylthio)phenyl]-3-[(6-morpholino-3-pyridyl)methyl]urea Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)NCC3=CN=C(C=C3)N4CCOCC4

Isomeric SMILES

C1CCC(C1)SC2=CC=C(C=C2)NC(=O)NCC3=CN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H28N4O2S/c27-22(25-18-6-8-20(9-7-18)29-19-3-1-2-4-19)24-16-17-5-10-21(23-15-17)26-11-13-28-14-12-26/h5-10,15,19H,1-4,11-14,16H2,(H2,24,25,27)