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

Systemtic Name: (3R)-1-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]nipecotamide Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCCC(C3)C(=O)N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C18H22N4O3S/c1-2-22-17(25)13-7-3-4-8-14(13)20-18(22)26-11-15(23)21-9-5-6-12(10-21)16(19)24/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,19,24)/t12-/m1/s1