N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide

Systemtic Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(4-oxidanylidene-1H-quinazolin-2-yl)propanamide Openeye Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide CAS Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide IUPAC Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-3-(4-oxo-1H-quinazolin-2-yl)propanamide Traditional Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-3-(4-keto-1H-quinazolin-2-yl)propionamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C25H23N3O2S/c1-16-7-12-22(17(2)15-16)31-19-10-8-18(9-11-19)26-24(29)14-13-23-27-21-6-4-3-5-20(21)25(30)28-23/h3-12,15H,13-14H2,1-2H3,(H,26,29)(H,27,28,30)