N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-4-(2-keto-1,3-benzoxazol-3-yl)butyramide Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCCN3C4=CC=CC=C4OC3=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CCCN3C4=CC=CC=C4OC3=O)C

InChI

InChI=1S/C23H22N4O3S/c1-15-14-16(2)25-22(24-15)31-18-11-9-17(10-12-18)26-21(28)8-5-13-27-19-6-3-4-7-20(19)30-23(27)29/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,26,28)