(2R)-2-[6-bromanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[6-bromanyl-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-2-[[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[6-bromo-3-[(2S)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-benzyl-2-[[6-bromo-3-[(2S)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]propionamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SC(C)C(=O)NCC3=CC=CC=C3)O

Isomeric SMILES

C[C@@H](CN1C(=O)C2=C(C=CC(=C2)Br)N=C1S[C@H](C)C(=O)NCC3=CC=CC=C3)O

InChI

InChI=1S/C21H22BrN3O3S/c1-13(26)12-25-20(28)17-10-16(22)8-9-18(17)24-21(25)29-14(2)19(27)23-11-15-6-4-3-5-7-15/h3-10,13-14,26H,11-12H2,1-2H3,(H,23,27)/t13-,14+/m0/s1