1-[2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]acetyl]isonipecotamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C21H22N4O3S/c1-24-20(28)16-10-14-4-2-3-5-15(14)11-17(16)23-21(24)29-12-18(26)25-8-6-13(7-9-25)19(22)27/h2-5,10-11,13H,6-9,12H2,1H3,(H2,22,27)