N-[(5-methylthiophen-2-yl)methyl]-4-(4-oxidanylidenequinazolin-3-yl)-N-phenethyl-butanamide

Systemtic Name: N-[(5-methylthiophen-2-yl)methyl]-4-(4-oxidanylidenequinazolin-3-yl)-N-phenethyl-butanamide Openeye Name: N-[(5-methyl-2-thienyl)methyl]-4-(4-oxoquinazolin-3-yl)-N-phenethyl-butanamide CAS Name: N-[(5-methyl-2-thiophenyl)methyl]-4-(4-oxo-3-quinazolinyl)-N-phenethylbutanamide IUPAC Name: N-[(5-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)-N-phenethylbutanamide Traditional Name: 4-(4-ketoquinazolin-3-yl)-N-[(5-methyl-2-thienyl)methyl]-N-phenethyl-butyramide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C(=O)CCCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C26H27N3O2S/c1-20-13-14-22(32-20)18-28(17-15-21-8-3-2-4-9-21)25(30)12-7-16-29-19-27-24-11-6-5-10-23(24)26(29)31/h2-6,8-11,13-14,19H,7,12,15-18H2,1H3