N-aminocarbonyl-2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-methyl-butanamide

Systemtic Name: N-aminocarbonyl-2-[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-methyl-butanamide Openeye Name: 2-[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-carbamoyl-3-methyl-butanamide CAS Name: 2-[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]-N-carbamoyl-3-methylbutanamide IUPAC Name: 2-[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-carbamoyl-3-methylbutanamide Traditional Name: 2-[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]-N-carbamoyl-3-methyl-butyramide Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C(C)C)C(=O)NC(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C24H28N4O3S/c1-4-5-8-16-11-13-17(14-12-16)28-22(30)18-9-6-7-10-19(18)26-24(28)32-20(15(2)3)21(29)27-23(25)31/h6-7,9-15,20H,4-5,8H2,1-3H3,(H3,25,27,29,31)