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

Systemtic Name: (2R)-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-prop-2-enyl-propanamide Openeye Name: (2R)-N-allyl-2-[3-[(1S)-1,5-dimethylhexyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-2-[[3-[(2S)-6-methylheptan-2-yl]-4-oxo-2-quinazolinyl]thio]-N-prop-2-enylpropanamide IUPAC Name: (2R)-2-[3-[(2S)-6-methylheptan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-prop-2-enylpropanamide Traditional Name: (2R)-N-allyl-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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2S/c1-6-14-23-20(26)17(5)28-22-24-19-13-8-7-12-18(19)21(27)25(22)16(4)11-9-10-15(2)3/h6-8,12-13,15-17H,1,9-11,14H2,2-5H3,(H,23,26)/t16-,17+/m0/s1