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

Systemtic Name: 1-[2-(3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylhexanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylhexanoyl]piperidine-4-carboxamide CAS Name: 1-[2-[(3-cyclohexyl-4-oxo-2-quinazolinyl)thio]-1-oxohexyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylhexanoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(3-cyclohexyl-4-keto-quinazolin-2-yl)thio]hexanoyl]isonipecotamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

Isomeric SMILES

CCCCC(C(=O)N1CCC(CC1)C(=O)N)SC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4

InChI

InChI=1S/C26H36N4O3S/c1-2-3-13-22(25(33)29-16-14-18(15-17-29)23(27)31)34-26-28-21-12-8-7-11-20(21)24(32)30(26)19-9-5-4-6-10-19/h7-8,11-12,18-19,22H,2-6,9-10,13-17H2,1H3,(H2,27,31)