N-(1,3-benzodioxol-5-yl)-2-(7-chloranyl-3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloranyl-3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloro-3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(7-chloro-3-cyclopentyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(7-chloro-3-cyclopentyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5CCCC5

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5CCCC5

InChI

InChI=1S/C23H22ClN3O4S/c1-13(21(28)25-15-7-9-19-20(11-15)31-12-30-19)32-23-26-18-10-14(24)6-8-17(18)22(29)27(23)16-4-2-3-5-16/h6-11,13,16H,2-5,12H2,1H3,(H,25,28)