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

Systemtic Name: 1-[1-(4-ethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[1-(4-ethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-[1-(4-ethoxyphenyl)ethyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[1-(4-ethoxyphenyl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1-p-phenetylethyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C21H23N5O3S2/c1-3-29-18-9-5-16(6-10-18)15(2)24-21(30)25-17-7-11-19(12-8-17)31(27,28)26-20-22-13-4-14-23-20/h4-15H,3H2,1-2H3,(H,22,23,26)(H2,24,25,30)