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

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1-cyanocyclohexyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-methyl-propanamide CAS Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(1-cyanocyclohexyl)-N-methyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(1-cyanocyclohexyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-methyl-propionamide Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N(C)C3(CCCCC3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2S/c1-16(2)14-27-21(29)18-10-6-7-11-19(18)25-22(27)30-17(3)20(28)26(4)23(15-24)12-8-5-9-13-23/h6-7,10-11,16-17H,5,8-9,12-14H2,1-4H3/t17-/m1/s1