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

Systemtic Name: 1-[1-(oxolan-2-yl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3-(1-tetrahydrofuran-2-ylethyl)thiourea CAS Name: 1-[1-(2-oxolanyl)ethyl]-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-[1-(oxolan-2-yl)ethyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-[4-(2-pyrimidylsulfamoyl)phenyl]-3-[1-(tetrahydrofuryl)ethyl]thiourea Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCO1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC(C1CCCO1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C17H21N5O3S2/c1-12(15-4-2-11-25-15)20-17(26)21-13-5-7-14(8-6-13)27(23,24)22-16-18-9-3-10-19-16/h3,5-10,12,15H,2,4,11H2,1H3,(H,18,19,22)(H2,20,21,26)