2-(7-chloranyl-3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-cyanophenyl)propanamide

Systemtic Name: 2-(7-chloranyl-3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3-cyanophenyl)propanamide Openeye Name: 2-(7-chloro-3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-cyanophenyl)propanamide CAS Name: 2-[(7-chloro-3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-N-(3-cyanophenyl)propanamide IUPAC Name: 2-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-cyanophenyl)propanamide Traditional Name: 2-[(7-chloro-3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-N-(3-cyanophenyl)propionamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4CCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4CCCC4

InChI

InChI=1S/C23H21ClN4O2S/c1-14(21(29)26-17-6-4-5-15(11-17)13-25)31-23-27-20-12-16(24)9-10-19(20)22(30)28(23)18-7-2-3-8-18/h4-6,9-12,14,18H,2-3,7-8H2,1H3,(H,26,29)