N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-keto-1H-quinazoline-2-carbothioamide Formula: C21H18N6O3S2 MolecularWeight: 466.53602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)C3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H18N6O3S2/c1-12-11-13(2)23-21(22-12)27-32(29,30)15-9-7-14(8-10-15)24-20(31)18-25-17-6-4-3-5-16(17)19(28)26-18/h3-11H,1-2H3,(H,24,31)(H,22,23,27)(H,25,26,28)