N-aminocarbonyl-3-methyl-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-aminocarbonyl-3-methyl-2-(4-phenylazanylquinazolin-2-yl)sulfanyl-butanamide Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-carbamoyl-3-methyl-butanamide CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-N-carbamoyl-3-methylbutanamide IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-N-carbamoyl-3-methylbutanamide Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-N-carbamoyl-3-methyl-butyramide Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)SC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-12(2)16(18(26)25-19(21)27)28-20-23-15-11-7-6-10-14(15)17(24-20)22-13-8-4-3-5-9-13/h3-12,16H,1-2H3,(H,22,23,24)(H3,21,25,26,27)