1,3-benzothiazol-2-yl-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone

Systemtic Name: 1,3-benzothiazol-2-yl-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone Openeye Name: 1,3-benzothiazol-2-yl-[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone CAS Name: 1,3-benzothiazol-2-yl-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methanone IUPAC Name: 1,3-benzothiazol-2-yl-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]methanone Traditional Name: 1,3-benzothiazol-2-yl-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)methanone Formula: C28H21N3O2S MolecularWeight: 463.55024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C(=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H21N3O2S/c1-4-15-33-20-13-14-22-21(16-20)25(19-11-9-18(10-12-19)17(2)3)31-27(29-22)26(32)28-30-23-7-5-6-8-24(23)34-28/h1,5-14,16-17H,15H2,2-3H3