(2R)-N-(cyclohexylcarbamoyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(cyclohexylcarbamoyl)-2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(cyclohexylcarbamoyl)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-N-(cyclohexylcarbamoyl)-2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)SC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H26N4O3S/c1-13(18(26)24-20(28)22-14-7-3-2-4-8-14)29-21-23-17-10-6-5-9-16(17)19(27)25(21)15-11-12-15/h5-6,9-10,13-15H,2-4,7-8,11-12H2,1H3,(H2,22,24,26,28)/t13-/m1/s1