5-oxidanylidene-N3-phenethyl-N2-(4-phenoxyphenyl)-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide

Systemtic Name: 5-oxidanylidene-N3-phenethyl-N2-(4-phenoxyphenyl)-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide Openeye Name: 5-oxo-N3-phenethyl-N2-(4-phenoxyphenyl)-7-propyl-thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide CAS Name: 5-oxo-N3-phenethyl-N2-(4-phenoxyphenyl)-7-propylthiazolo[3,2-a]pyrimidine-2,3-dicarboxamide IUPAC Name: 5-oxo-3-N-phenethyl-2-N-(4-phenoxyphenyl)-7-propyl-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide Traditional Name: 5-keto-N'-phenethyl-N-(4-phenoxyphenyl)-7-propyl-thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide Formula: C31H28N4O4S MolecularWeight: 552.64342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H28N4O4S/c1-2-9-23-20-26(36)35-27(29(37)32-19-18-21-10-5-3-6-11-21)28(40-31(35)34-23)30(38)33-22-14-16-25(17-15-22)39-24-12-7-4-8-13-24/h3-8,10-17,20H,2,9,18-19H2,1H3,(H,32,37)(H,33,38)