2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: 2-[3-(2,6-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[3-(2,6-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: 2-[[3-(2,6-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-benzyl-2-[[3-(2,6-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O2S/c1-17-10-9-11-18(2)23(17)29-25(31)21-14-7-8-15-22(21)28-26(29)32-19(3)24(30)27-16-20-12-5-4-6-13-20/h4-15,19H,16H2,1-3H3,(H,27,30)