N-(2,5-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-2-phenyl-acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-2-phenylacetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]-2-phenyl-acetamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NC(=NC4=CC=CC=C43)CN5CCOCC5

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NC(=NC4=CC=CC=C43)CN5CCOCC5

InChI

InChI=1S/C29H30N4O2S/c1-20-12-13-21(2)25(18-20)31-28(34)27(22-8-4-3-5-9-22)36-29-23-10-6-7-11-24(23)30-26(32-29)19-33-14-16-35-17-15-33/h3-13,18,27H,14-17,19H2,1-2H3,(H,31,34)