2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopentyl-propanamide

Systemtic Name: 2-[3-(4-butan-2-ylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopentyl-propanamide Openeye Name: N-cyclopentyl-2-[4-oxo-3-(4-sec-butylphenyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: 2-[[3-(4-butan-2-ylphenyl)-4-oxo-2-quinazolinyl]thio]-N-cyclopentylpropanamide IUPAC Name: 2-[3-(4-butan-2-ylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopentylpropanamide Traditional Name: N-cyclopentyl-2-[[4-keto-3-(4-sec-butylphenyl)quinazolin-2-yl]thio]propionamide Formula: C26H31N3O2S MolecularWeight: 449.60824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4CCCC4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4CCCC4

InChI

InChI=1S/C26H31N3O2S/c1-4-17(2)19-13-15-21(16-14-19)29-25(31)22-11-7-8-12-23(22)28-26(29)32-18(3)24(30)27-20-9-5-6-10-20/h7-8,11-18,20H,4-6,9-10H2,1-3H3,(H,27,30)