2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-N,N'-diphenyl-propanediamide

Systemtic Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-N,N'-diphenyl-propanediamide Openeye Name: 2-[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]sulfanyl-N,N'-diphenyl-propanediamide CAS Name: 2-[[4-(4-methoxyphenyl)-6-methyl-2-pyrimidinyl]thio]-N,N'-diphenylpropanediamide IUPAC Name: 2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-N,N'-diphenylpropanediamide Traditional Name: 2-[[4-(4-methoxyphenyl)-6-methyl-pyrimidin-2-yl]thio]-N,N'-diphenyl-malonamide Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SC(C(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)OC)SC(C(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H24N4O3S/c1-18-17-23(19-13-15-22(34-2)16-14-19)31-27(28-18)35-24(25(32)29-20-9-5-3-6-10-20)26(33)30-21-11-7-4-8-12-21/h3-17,24H,1-2H3,(H,29,32)(H,30,33)