2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]ethanamide

Systemtic Name: 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]ethanamide Openeye Name: 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide IUPAC Name: 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

Isomeric SMILES

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CC4

InChI

InChI=1S/C21H27N3O2S/c1-13-6-5-9-17(14(13)2)22-19(25)12-27-21-23-18-8-4-3-7-16(18)20(26)24(21)15-10-11-15/h3-4,7-8,13-15,17H,5-6,9-12H2,1-2H3,(H,22,25)/t13-,14+,17+/m0/s1