1-[2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]isonipecotate Formula: C22H19ClN3O4S- MolecularWeight: 456.92196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN3O4S/c23-15-5-7-16(8-6-15)26-20(28)17-3-1-2-4-18(17)24-22(26)31-13-19(27)25-11-9-14(10-12-25)21(29)30/h1-8,14H,9-13H2,(H,29,30)/p-1