N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(4-oxoquinazolin-3-yl)butanamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-4-(4-oxoquinazolin-3-yl)butanamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-4-(4-ketoquinazolin-3-yl)butyramide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)CCCN2C=NC3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)CCCN2C=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C22H25N3O2S/c1-16-9-10-18(14-17(16)2)28-13-11-23-21(26)8-5-12-25-15-24-20-7-4-3-6-19(20)22(25)27/h3-4,6-7,9-10,14-15H,5,8,11-13H2,1-2H3,(H,23,26)