6-[2-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]hexanamide

Systemtic Name: 6-[2-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]hexanamide Openeye Name: 6-[2-[2-(3-chloroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]hexanamide CAS Name: 6-[2-[[2-(3-chloroanilino)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]hexanamide IUPAC Name: 6-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]hexanamide Traditional Name: 6-[2-[[2-(3-chloroanilino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]hexanamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)Cl)CCCCCC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)Cl)CCCCCC(=O)N

InChI

InChI=1S/C22H23ClN4O3S/c23-15-7-6-8-16(13-15)25-20(29)14-31-22-26-18-10-4-3-9-17(18)21(30)27(22)12-5-1-2-11-19(24)28/h3-4,6-10,13H,1-2,5,11-12,14H2,(H2,24,28)(H,25,29)