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

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C23H22N4O2S/c1-15(21(28)25-17-12-10-16(14-24)11-13-17)30-23-26-20-9-5-4-8-19(20)22(29)27(23)18-6-2-3-7-18/h4-5,8-13,15,18H,2-3,6-7H2,1H3,(H,25,28)/t15-/m1/s1