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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c23-20(29)18-12-6-7-13-27(18)19(28)14-30-22-25-17-11-5-4-10-16(17)21(26-22)24-15-8-2-1-3-9-15/h1-5,8-11,18H,6-7,12-14H2,(H2,23,29)(H,24,25,26)/t18-/m1/s1