N-(2,6-dimethylphenyl)-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-thienyl)quinazolin-4-yl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-(2-thiophen-2-yl-4-quinazolinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-thienyl)quinazolin-4-yl]piperazino]acetamide Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C3=NC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C26H27N5OS/c1-18-7-5-8-19(2)24(18)28-23(32)17-30-12-14-31(15-13-30)26-20-9-3-4-10-21(20)27-25(29-26)22-11-6-16-33-22/h3-11,16H,12-15,17H2,1-2H3,(H,28,32)