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

Systemtic Name: N-[2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-N-[2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanylacetyl]pyrrole-2-carboxamide CAS Name: N-[2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanylacetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C3=CC=CN3C

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)C3=CC=CN3C

InChI

InChI=1S/C20H22N4O3S/c1-4-13(2)24-19(27)14-8-5-6-9-15(14)21-20(24)28-12-17(25)22-18(26)16-10-7-11-23(16)3/h5-11,13H,4,12H2,1-3H3,(H,22,25,26)