N-[2,6-di(propan-2-yl)phenyl]-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,6-diisopropylphenyl)-2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[2,6-di(propan-2-yl)phenyl]-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,6-diisopropylphenyl)-2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C27H29N3O3S/c1-17(2)20-11-7-12-21(18(3)4)25(20)29-24(31)16-34-27-28-23-13-6-5-10-22(23)26(32)30(27)15-19-9-8-14-33-19/h5-14,17-18H,15-16H2,1-4H3,(H,29,31)