N-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylethanoyl)pyrrol-1-yl]benzamide

Systemtic Name: N-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylethanoyl)pyrrol-1-yl]benzamide Openeye Name: N-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylacetyl)pyrrol-1-yl]benzamide CAS Name: N-[2,5-dimethyl-3-[1-oxo-2-(4-quinazolinylthio)ethyl]-1-pyrrolyl]benzamide IUPAC Name: N-[2,5-dimethyl-3-(2-quinazolin-4-ylsulfanylacetyl)pyrrol-1-yl]benzamide Traditional Name: N-[2,5-dimethyl-3-[2-(quinazolin-4-ylthio)acetyl]pyrrol-1-yl]benzamide Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=C(N1NC(=O)C2=CC=CC=C2)C)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C23H20N4O2S/c1-15-12-19(16(2)27(15)26-22(29)17-8-4-3-5-9-17)21(28)13-30-23-18-10-6-7-11-20(18)24-14-25-23/h3-12,14H,13H2,1-2H3,(H,26,29)