(3R)-1-[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]acetyl]nipecotamide Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN4O3S/c1-2-7-24-18(27)14-9-13(20)5-6-15(14)22-19(24)28-11-16(25)23-8-3-4-12(10-23)17(21)26/h2,5-6,9,12H,1,3-4,7-8,10-11H2,(H2,21,26)/t12-/m1/s1