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

Systemtic Name: 1-cyclopropyl-3-[3-(dimethylsulfamoyl)phenyl]-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-cyclopropyl-3-[3-(dimethylsulfamoyl)phenyl]-1-(4-pyridylmethyl)thiourea CAS Name: 1-cyclopropyl-3-[3-(dimethylsulfamoyl)phenyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-cyclopropyl-3-[3-(dimethylsulfamoyl)phenyl]-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-cyclopropyl-3-[3-(dimethylsulfamoyl)phenyl]-1-(4-pyridylmethyl)thiourea Formula: C18H22N4O2S2 MolecularWeight: 390.52288

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N(CC2=CC=NC=C2)C3CC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)NC(=S)N(CC2=CC=NC=C2)C3CC3

InChI

InChI=1S/C18H22N4O2S2/c1-21(2)26(23,24)17-5-3-4-15(12-17)20-18(25)22(16-6-7-16)13-14-8-10-19-11-9-14/h3-5,8-12,16H,6-7,13H2,1-2H3,(H,20,25)