4-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide

Systemtic Name: 4-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide Openeye Name: 4-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide CAS Name: 4-[(4-oxo-3-propyl-2-quinazolinyl)thio]-N-(2,4,6-trimethylphenyl)butanamide IUPAC Name: 4-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-(2,4,6-trimethylphenyl)butanamide Traditional Name: 4-[(4-keto-3-propyl-quinazolin-2-yl)thio]-N-mesityl-butyramide Formula: C24H29N3O2S MolecularWeight: 423.57096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCCCC(=O)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCCCC(=O)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C24H29N3O2S/c1-5-12-27-23(29)19-9-6-7-10-20(19)25-24(27)30-13-8-11-21(28)26-22-17(3)14-16(2)15-18(22)4/h6-7,9-10,14-15H,5,8,11-13H2,1-4H3,(H,26,28)