N-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[[2-(3-thienyl)quinazolin-4-yl]amino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[2-(3-thiophenyl)-4-quinazolinyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[(2-thiophen-3-ylquinazolin-4-yl)amino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[[2-(3-thienyl)quinazolin-4-yl]amino]methyl]phenyl]cyclopropanecarboxamide Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CSC=C5

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC3=NC(=NC4=CC=CC=C43)C5=CSC=C5

InChI

InChI=1S/C23H20N4OS/c28-23(16-8-9-16)25-18-5-3-4-15(12-18)13-24-22-19-6-1-2-7-20(19)26-21(27-22)17-10-11-29-14-17/h1-7,10-12,14,16H,8-9,13H2,(H,25,28)(H,24,26,27)