1-[2-(2-methoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea

Systemtic Name: 1-[2-(2-methoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[2-(2-methoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[2-(2-methoxyphenyl)ethyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[2-(2-methoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[2-(2-methoxyphenyl)ethyl]-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

COC1=CC=CC=C1CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C20H21N5O3S2/c1-28-18-6-3-2-5-15(18)11-14-23-20(29)24-16-7-9-17(10-8-16)30(26,27)25-19-21-12-4-13-22-19/h2-10,12-13H,11,14H2,1H3,(H,21,22,25)(H2,23,24,29)