4-(4-oxidanylidenequinazolin-3-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]butanamide

Systemtic Name: 4-(4-oxidanylidenequinazolin-3-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]butanamide Openeye Name: N-[(4-isopropylphenyl)-(2-thienyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: 4-(4-oxo-3-quinazolinyl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]butanamide IUPAC Name: 4-(4-oxoquinazolin-3-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]butanamide Traditional Name: 4-(4-ketoquinazolin-3-yl)-N-[p-cumenyl(2-thienyl)methyl]butyramide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H27N3O2S/c1-18(2)19-11-13-20(14-12-19)25(23-9-6-16-32-23)28-24(30)10-5-15-29-17-27-22-8-4-3-7-21(22)26(29)31/h3-4,6-9,11-14,16-18,25H,5,10,15H2,1-2H3,(H,28,30)