(2R)-N-(3-cyanophenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(3-cyanophenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(3-cyanophenyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(3-cyanophenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(3-cyanophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(3-cyanophenyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C22H22N4O2S/c1-14(2)13-26-21(28)18-9-4-5-10-19(18)25-22(26)29-15(3)20(27)24-17-8-6-7-16(11-17)12-23/h4-11,14-15H,13H2,1-3H3,(H,24,27)/t15-/m1/s1