1-methyl-N-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-N-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoyl]pyrrole-2-carboxamide Openeye Name: N-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[(4-anilino-2-quinazolinyl)thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(4-anilinoquinazolin-2-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O2S/c1-27-13-7-12-18(27)21(29)25-19(28)14-30-22-24-17-11-6-5-10-16(17)20(26-22)23-15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H,23,24,26)(H,25,28,29)