(2S)-N-(2,5-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(2,5-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: (2S)-N-(2,5-dimethylphenyl)-2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: (2S)-N-(2,5-dimethylphenyl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: (2S)-N-(2,5-dimethylphenyl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: (2S)-N-(2,5-dimethylphenyl)-2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]-2-phenyl-acetamide Formula: C29H25N3O3S MolecularWeight: 495.5921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C29H25N3O3S/c1-19-14-15-20(2)25(17-19)30-27(33)26(21-9-4-3-5-10-21)36-29-31-24-13-7-6-12-23(24)28(34)32(29)18-22-11-8-16-35-22/h3-17,26H,18H2,1-2H3,(H,30,33)/t26-/m0/s1