3-[3-(dimethylsulfamoyl)phenyl]-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-[3-(dimethylsulfamoyl)phenyl]-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-[3-(dimethylsulfamoyl)phenyl]-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 3-[3-(dimethylsulfamoyl)phenyl]-1-[3-(4-morpholinyl)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-[3-(dimethylsulfamoyl)phenyl]-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-[3-(dimethylsulfamoyl)phenyl]-1-(3-morpholinopropyl)-1-(4-pyridylmethyl)thiourea Formula: C22H31N5O3S2 MolecularWeight: 477.64324

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=NC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H31N5O3S2/c1-25(2)32(28,29)21-6-3-5-20(17-21)24-22(31)27(18-19-7-9-23-10-8-19)12-4-11-26-13-15-30-16-14-26/h3,5-10,17H,4,11-16,18H2,1-2H3,(H,24,31)