1-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]isonipecotamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H28N4O3S/c1-14(2)7-12-25-20(28)16-5-3-4-6-17(16)23-21(25)29-13-18(26)24-10-8-15(9-11-24)19(22)27/h3-6,14-15H,7-13H2,1-2H3,(H2,22,27)