2-[6-bromanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[6-bromanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]ethanamide Openeye Name: 2-[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-N-(o-tolylmethyl)acetamide CAS Name: 2-[[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]-N-methyl-N-[(2-methylphenyl)methyl]acetamide IUPAC Name: 2-[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide Traditional Name: 2-[[6-bromo-3-[(2S)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]-N-methyl-N-(2-methylbenzyl)acetamide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(C)C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2CC(C)O

Isomeric SMILES

CC1=CC=CC=C1CN(C)C(=O)CSC2=NC3=C(C=C(C=C3)Br)C(=O)N2C[C@H](C)O

InChI

InChI=1S/C22H24BrN3O3S/c1-14-6-4-5-7-16(14)12-25(3)20(28)13-30-22-24-19-9-8-17(23)10-18(19)21(29)26(22)11-15(2)27/h4-10,15,27H,11-13H2,1-3H3/t15-/m0/s1