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

Systemtic Name: 4-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N,N-diethyl-butanamide Openeye Name: 4-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N,N-diethyl-butanamide CAS Name: 4-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N,N-diethylbutanamide IUPAC Name: 4-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-diethylbutanamide Traditional Name: 4-[[3-(2,5-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=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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