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

Systemtic Name: 1-(4-phenylbutan-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Openeye Name: 1-(1-methyl-3-phenyl-propyl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea CAS Name: 1-(4-phenylbutan-2-yl)-3-[4-(2-pyrimidinylsulfamoyl)phenyl]thiourea IUPAC Name: 1-(4-phenylbutan-2-yl)-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea Traditional Name: 1-(1-methyl-3-phenyl-propyl)-3-[4-(2-pyrimidylsulfamoyl)phenyl]thiourea Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C21H23N5O2S2/c1-16(8-9-17-6-3-2-4-7-17)24-21(29)25-18-10-12-19(13-11-18)30(27,28)26-20-22-14-5-15-23-20/h2-7,10-16H,8-9H2,1H3,(H,22,23,26)(H2,24,25,29)