1-[2-[3-(3-chlorophenyl)-8-oxidanyl-4-oxidanylidene-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-(3-chlorophenyl)-8-oxidanyl-4-oxidanylidene-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-(3-chlorophenyl)-8-hydroxy-4-oxo-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-(3-chlorophenyl)-8-hydroxy-4-oxo-2-quinazolinyl]thio]-1-oxohexyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-(3-chlorophenyl)-8-hydroxy-4-oxoquinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[3-(3-chlorophenyl)-8-hydroxy-4-keto-quinazolin-2-yl]thio]hexanoyl]isonipecotamide Formula: C26H29ClN4O4S MolecularWeight: 529.05086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=C(C=CC=C3O)C(=O)N2C4=CC(=CC=C4)Cl

Isomeric SMILES

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=C(C=CC=C3O)C(=O)N2C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H29ClN4O4S/c1-2-3-10-21(25(35)30-13-11-16(12-14-30)23(28)33)36-26-29-22-19(8-5-9-20(22)32)24(34)31(26)18-7-4-6-17(27)15-18/h4-9,15-16,21,32H,2-3,10-14H2,1H3,(H2,28,33)