2-(6-phenylpyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[(6-phenyl-4-pyrimidinyl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(6-phenylpyrimidin-4-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(6-phenylpyrimidin-4-yl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propionamide Formula: C20H17N5O3S3 MolecularWeight: 471.57568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3S3/c1-12(29-18-10-16(22-11-23-18)13-5-3-2-4-6-13)19(26)25-20-24-15-8-7-14(31(21,27)28)9-17(15)30-20/h2-12H,1H3,(H2,21,27,28)(H,24,25,26)