N-aminocarbonyl-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-3-methyl-butanamide Openeye Name: N-carbamoyl-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-3-methyl-butanamide CAS Name: N-carbamoyl-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-3-methylbutanamide IUPAC Name: N-carbamoyl-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-3-methylbutanamide Traditional Name: N-carbamoyl-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]-3-methyl-butyramide Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C20H28N4O3S/c1-4-5-6-9-12-24-18(26)14-10-7-8-11-15(14)22-20(24)28-16(13(2)3)17(25)23-19(21)27/h7-8,10-11,13,16H,4-6,9,12H2,1-3H3,(H3,21,23,25,27)