2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-cycloheptyl-propanamide

Systemtic Name: 2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-cycloheptyl-propanamide Openeye Name: 2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanyl-N-cycloheptyl-propanamide CAS Name: 2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-N-cycloheptylpropanamide IUPAC Name: 2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-cycloheptylpropanamide Traditional Name: 2-[(3-butyl-4-keto-quinazolin-2-yl)thio]-N-cycloheptyl-propionamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3CCCCCC3

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3CCCCCC3

InChI

InChI=1S/C22H31N3O2S/c1-3-4-15-25-21(27)18-13-9-10-14-19(18)24-22(25)28-16(2)20(26)23-17-11-7-5-6-8-12-17/h9-10,13-14,16-17H,3-8,11-12,15H2,1-2H3,(H,23,26)