N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C22H23N5O3S2 MolecularWeight: 469.57972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N5O3S2/c1-15-14-16(2)24-21(23-15)27-32(29,30)19-11-9-18(10-12-19)25-22(31)26-20(28)13-8-17-6-4-3-5-7-17/h3-7,9-12,14H,8,13H2,1-2H3,(H,23,24,27)(H2,25,26,28,31)