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

Systemtic Name: 1-[2-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[3-(2-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxohexyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylhexanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]thio]hexanoyl]isonipecotamide Formula: C26H29ClN4O3S MolecularWeight: 513.05146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4Cl

Isomeric SMILES

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4Cl

InChI

InChI=1S/C26H29ClN4O3S/c1-2-3-12-22(25(34)30-15-13-17(14-16-30)23(28)32)35-26-29-20-10-6-4-8-18(20)24(33)31(26)21-11-7-5-9-19(21)27/h4-11,17,22H,2-3,12-16H2,1H3,(H2,28,32)