N-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C3=CC=CN3C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C3=CC=CN3C

InChI

InChI=1S/C22H26N4O3S/c1-3-4-5-8-14-26-21(29)16-10-6-7-11-17(16)23-22(26)30-15-19(27)24-20(28)18-12-9-13-25(18)2/h6-7,9-13H,3-5,8,14-15H2,1-2H3,(H,24,27,28)