6-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide

Systemtic Name: 6-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide Openeye Name: 6-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide CAS Name: 6-methyl-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide IUPAC Name: 6-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide Traditional Name: 6-methyl-N-[4-(2-pyrimidylsulfamoyl)phenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H21N5O2S2/c1-15-5-10-19-16(14-15)4-2-13-26(19)21(29)24-17-6-8-18(9-7-17)30(27,28)25-20-22-11-3-12-23-20/h3,5-12,14H,2,4,13H2,1H3,(H,24,29)(H,22,23,25)