(2R)-N-cyclopropyl-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-cyclopropyl-2-[3-[(1S)-1,5-dimethylhexyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-cyclopropyl-2-[[3-[(2S)-6-methylheptan-2-yl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-cyclopropyl-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-cyclopropyl-2-[[3-[(1S)-1,5-dimethylhexyl]-4-keto-quinazolin-2-yl]thio]propionamide Formula: C22H31N3O2S MolecularWeight: 401.56544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3CC3

Isomeric SMILES

C[C@@H](CCCC(C)C)N1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)NC3CC3

InChI

InChI=1S/C22H31N3O2S/c1-14(2)8-7-9-15(3)25-21(27)18-10-5-6-11-19(18)24-22(25)28-16(4)20(26)23-17-12-13-17/h5-6,10-11,14-17H,7-9,12-13H2,1-4H3,(H,23,26)/t15-,16+/m0/s1