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

Systemtic Name: (2R)-1-[2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylethanoyl]piperidine-2-carboxamide Openeye Name: (2R)-1-[2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanylacetyl]piperidine-2-carboxamide CAS Name: (2R)-1-[2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-1-oxoethyl]-2-piperidinecarboxamide IUPAC Name: (2R)-1-[2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]piperidine-2-carboxamide Traditional Name: (2R)-1-[2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]acetyl]pipecolinamide 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)N4CCCCC4C(=O)N

Isomeric SMILES

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N4CCCC[C@@H]4C(=O)N

InChI

InChI=1S/C21H22N4O3S/c1-24-20(28)15-10-13-6-2-3-7-14(13)11-16(15)23-21(24)29-12-18(26)25-9-5-4-8-17(25)19(22)27/h2-3,6-7,10-11,17H,4-5,8-9,12H2,1H3,(H2,22,27)/t17-/m1/s1