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

Systemtic Name: (2R)-N-cycloheptyl-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-cycloheptyl-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-cycloheptyl-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-cycloheptyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-cycloheptyl-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C22H31N3O2S/c1-15(2)14-25-21(27)18-12-8-9-13-19(18)24-22(25)28-16(3)20(26)23-17-10-6-4-5-7-11-17/h8-9,12-13,15-17H,4-7,10-11,14H2,1-3H3,(H,23,26)/t16-/m1/s1