4-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-diethyl-butanamide

Systemtic Name: 4-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-diethyl-butanamide Openeye Name: 4-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N,N-diethyl-butanamide CAS Name: 4-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N,N-diethylbutanamide IUPAC Name: 4-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-diethylbutanamide Traditional Name: 4-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N,N-diethyl-butyramide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCN(CC)C(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C24H29N3O2S/c1-5-26(6-2)22(28)12-9-13-30-24-25-21-11-8-7-10-20(21)23(29)27(24)19-15-17(3)14-18(4)16-19/h7-8,10-11,14-16H,5-6,9,12-13H2,1-4H3