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

Systemtic Name: (3R)-1-[2-(3-methyl-4-oxidanylidene-benzo[g]quinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-(3-methyl-4-oxo-benzo[g]quinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[(3-methyl-4-oxo-2-benzo[g]quinazolinyl)thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-(3-methyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[(4-keto-3-methyl-benzo[g]quinazolin-2-yl)thio]acetyl]nipecotamide 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)N4CCCC(C4)C(=O)N

Isomeric SMILES

CN1C(=O)C2=CC3=CC=CC=C3C=C2N=C1SCC(=O)N4CCC[C@H](C4)C(=O)N

InChI

InChI=1S/C21H22N4O3S/c1-24-20(28)16-9-13-5-2-3-6-14(13)10-17(16)23-21(24)29-12-18(26)25-8-4-7-15(11-25)19(22)27/h2-3,5-6,9-10,15H,4,7-8,11-12H2,1H3,(H2,22,27)/t15-/m1/s1