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

Systemtic Name: (2R)-N-(4-cyanophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(4-cyanophenyl)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-(4-cyanophenyl)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(4-cyanophenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(4-cyanophenyl)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C23H24N4O2S/c1-15(2)12-13-27-22(29)19-6-4-5-7-20(19)26-23(27)30-16(3)21(28)25-18-10-8-17(14-24)9-11-18/h4-11,15-16H,12-13H2,1-3H3,(H,25,28)/t16-/m1/s1