1-[2-[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-(3,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[3-(3,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[[3-(3,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]acetyl]isonipecotic acid Formula: C22H19Cl2N3O4S MolecularWeight: 492.37496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19Cl2N3O4S/c23-16-6-5-14(11-17(16)24)27-20(29)15-3-1-2-4-18(15)25-22(27)32-12-19(28)26-9-7-13(8-10-26)21(30)31/h1-6,11,13H,7-10,12H2,(H,30,31)