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

Systemtic Name: N-(1-cyanocyclohexyl)-2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C23H30N4O3S/c1-3-30-15-9-14-27-21(29)18-10-5-6-11-19(18)25-22(27)31-17(2)20(28)26-23(16-24)12-7-4-8-13-23/h5-6,10-11,17H,3-4,7-9,12-15H2,1-2H3,(H,26,28)