4-[2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanylpropanoylamino]benzamide CAS Name: 4-[[2-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]propanoylamino]benzamide Formula: C26H28N4O3S MolecularWeight: 476.59052

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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)N2CCC4=CCCCC4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2CCC4=CCCCC4

InChI

InChI=1S/C26H28N4O3S/c1-17(24(32)28-20-13-11-19(12-14-20)23(27)31)34-26-29-22-10-6-5-9-21(22)25(33)30(26)16-15-18-7-3-2-4-8-18/h5-7,9-14,17H,2-4,8,15-16H2,1H3,(H2,27,31)(H,28,32)