2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide

Systemtic Name: 2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide Openeye Name: 2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide CAS Name: 2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-dimethylphenyl)propanamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]propionamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SC(C)C(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H23N3O2S/c1-12-7-9-17-16(10-12)20(26)24(5)21(23-17)27-15(4)19(25)22-18-11-13(2)6-8-14(18)3/h6-11,15H,1-5H3,(H,22,25)