N-cyclopentyl-2-(4-oxidanylidene-3-phenylazanyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-cyclopentyl-2-(4-oxidanylidene-3-phenylazanyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-anilino-4-oxo-quinazolin-2-yl)sulfanyl-N-cyclopentyl-acetamide CAS Name: 2-[(3-anilino-4-oxo-2-quinazolinyl)thio]-N-cyclopentylacetamide IUPAC Name: 2-(3-anilino-4-oxoquinazolin-2-yl)sulfanyl-N-cyclopentylacetamide Traditional Name: 2-[(3-anilino-4-keto-quinazolin-2-yl)thio]-N-cyclopentyl-acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c26-19(22-15-8-4-5-9-15)14-28-21-23-18-13-7-6-12-17(18)20(27)25(21)24-16-10-2-1-3-11-16/h1-3,6-7,10-13,15,24H,4-5,8-9,14H2,(H,22,26)