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

Systemtic Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-[4-(2-pyrimidinylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-[4-(2-pyrimidylsulfamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C20H19N5O2S2 MolecularWeight: 425.52716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C20H19N5O2S2/c26-29(27,24-19-21-11-3-12-22-19)18-8-6-17(7-9-18)23-20(28)25-13-10-15-4-1-2-5-16(15)14-25/h1-9,11-12H,10,13-14H2,(H,23,28)(H,21,22,24)