1-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[(4-anilino-2-quinazolinyl)thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(4-anilinoquinazolin-2-yl)thio]acetyl]isonipecotamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c23-20(29)15-10-12-27(13-11-15)19(28)14-30-22-25-18-9-5-4-8-17(18)21(26-22)24-16-6-2-1-3-7-16/h1-9,15H,10-14H2,(H2,23,29)(H,24,25,26)