(2R)-N-(1-cyanocyclohexyl)-2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-2-[[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-2-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4(CCCCC4)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)NC4(CCCCC4)C#N)C

InChI

InChI=1S/C26H28N4O2S/c1-17-11-12-20(15-18(17)2)30-24(32)21-9-5-6-10-22(21)28-25(30)33-19(3)23(31)29-26(16-27)13-7-4-8-14-26/h5-6,9-12,15,19H,4,7-8,13-14H2,1-3H3,(H,29,31)/t19-/m1/s1