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

Systemtic Name: 1-[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylhexanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylhexanoyl]piperidine-4-carboxamide CAS Name: 1-[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxohexyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylhexanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]hexanoyl]isonipecotamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C21H28N4O3S/c1-3-4-9-17(20(28)25-12-10-14(11-13-25)18(22)26)29-21-23-16-8-6-5-7-15(16)19(27)24(21)2/h5-8,14,17H,3-4,9-13H2,1-2H3,(H2,22,26)