N-(1,3-benzodioxol-5-yl)-2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[6-methyl-4-oxidanylidene-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[6-methyl-4-oxo-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[6-methyl-4-oxo-2-(1-phenylethylsulfanyl)-1H-pyrimidin-5-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-keto-6-methyl-2-(1-phenylethylthio)-1H-pyrimidin-5-yl]acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C2=CC=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O4S/c1-13-17(11-20(26)24-16-8-9-18-19(10-16)29-12-28-18)21(27)25-22(23-13)30-14(2)15-6-4-3-5-7-15/h3-10,14H,11-12H2,1-2H3,(H,24,26)(H,23,25,27)