N-(3-ethanoylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(3-ethanoylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(3-acetylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(3-acetylphenyl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(3-acetylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(3-acetylphenyl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)C)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O2S/c1-3-20(22(27)25-18-11-7-10-17(12-18)15(2)26)28-21-13-19(23-14-24-21)16-8-5-4-6-9-16/h4-14,20H,3H2,1-2H3,(H,25,27)