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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S2/c1-14(15-5-3-6-17(13-15)28-2)23-20(29)24-16-7-9-18(10-8-16)30(26,27)25-19-21-11-4-12-22-19/h3-14H,1-2H3,(H,21,22,25)(H2,23,24,29)