(2R)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1-cyanocyclohexyl)-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(1-cyanocyclohexyl)-N-methyl-propionamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C22H26N4O2S/c1-4-14-26-20(28)17-10-6-7-11-18(17)24-21(26)29-16(2)19(27)25(3)22(15-23)12-8-5-9-13-22/h4,6-7,10-11,16H,1,5,8-9,12-14H2,2-3H3/t16-/m1/s1