N-(2-methylcyclohexyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methylcyclohexyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-methylcyclohexyl)propanamide CAS Name: N-(2-methylcyclohexyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-methylcyclohexyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-(2-methylcyclohexyl)propionamide Formula: C21H29N3O2S MolecularWeight: 387.53886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C21H29N3O2S/c1-13(2)24-20(26)16-10-6-8-12-18(16)23-21(24)27-15(4)19(25)22-17-11-7-5-9-14(17)3/h6,8,10,12-15,17H,5,7,9,11H2,1-4H3,(H,22,25)