N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)propanamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(2-methyl-4-oxo-quinazolin-3-yl)propanamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-(2-methyl-4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-(2-methyl-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-(4-keto-2-methyl-quinazolin-3-yl)propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCNC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCNC(=O)CCN2C(=NC3=CC=CC=C3C2=O)C)C

InChI

InChI=1S/C22H25N3O2S/c1-15-8-9-18(14-16(15)2)28-13-11-23-21(26)10-12-25-17(3)24-20-7-5-4-6-19(20)22(25)27/h4-9,14H,10-13H2,1-3H3,(H,23,26)