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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-homoveratryl-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)OC

InChI

InChI=1S/C21H23N5O4S2/c1-29-18-9-4-15(14-19(18)30-2)10-13-24-21(31)25-16-5-7-17(8-6-16)32(27,28)26-20-22-11-3-12-23-20/h3-9,11-12,14H,10,13H2,1-2H3,(H,22,23,26)(H2,24,25,31)