4-[2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]propyl]amino]benzamide IUPAC Name: 4-[2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]propanoylamino]benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CCCC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3S/c1-18(25(33)29-21-15-13-20(14-16-21)24(28)32)35-27-30-23-12-6-5-11-22(23)26(34)31(27)17-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-16,18H,7,10,17H2,1H3,(H2,28,32)(H,29,33)