1-[2-(6-chloranyl-4-phenyl-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-(6-chloranyl-4-phenyl-quinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(6-chloro-4-phenyl-quinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[(6-chloro-4-phenyl-2-quinazolinyl)thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(6-chloro-4-phenyl-quinazolin-2-yl)thio]acetyl]isonipecotamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4O2S/c23-16-6-7-18-17(12-16)20(14-4-2-1-3-5-14)26-22(25-18)30-13-19(28)27-10-8-15(9-11-27)21(24)29/h1-7,12,15H,8-11,13H2,(H2,24,29)