(2S)-N-(3-bromophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-bromophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(3-bromophenyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-(3-bromophenyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(3-bromophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-N-(3-bromophenyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]propionamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)Br)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C22H23BrN4O2S/c1-15(21(28)24-17-6-4-5-16(23)13-17)30-22-18-7-2-3-8-19(18)25-20(26-22)14-27-9-11-29-12-10-27/h2-8,13,15H,9-12,14H2,1H3,(H,24,28)/t15-/m0/s1