N-(2-ethyl-6-methyl-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-butanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-butanamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]butanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylbutanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[(4-keto-3-methyl-quinazolin-2-yl)thio]butyramide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(CC)SC2=NC3=CC=CC=C3C(=O)N2C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(CC)SC2=NC3=CC=CC=C3C(=O)N2C)C

InChI

InChI=1S/C22H25N3O2S/c1-5-15-11-9-10-14(3)19(15)24-20(26)18(6-2)28-22-23-17-13-8-7-12-16(17)21(27)25(22)4/h7-13,18H,5-6H2,1-4H3,(H,24,26)