1-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxamide

Systemtic Name: 1-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoyl]piperidine-3-carboxamide Openeye Name: 1-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide CAS Name: 1-[2-[(4-anilino-2-quinazolinyl)thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: 1-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide Traditional Name: 1-[2-[(4-anilinoquinazolin-2-yl)thio]acetyl]nipecotamide Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4)C(=O)N

InChI

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