(2S)-N-(4-tert-butylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: (2S)-N-(4-tert-butylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: (2S)-N-(4-tert-butylphenyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: (2S)-N-(4-tert-butylphenyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(4-tert-butylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: (2S)-N-(4-tert-butylphenyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]propionamide Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O2S/c1-18(24(31)27-20-11-9-19(10-12-20)26(2,3)4)33-25-21-7-5-6-8-22(21)28-23(29-25)17-30-13-15-32-16-14-30/h5-12,18H,13-17H2,1-4H3,(H,27,31)/t18-/m0/s1