N-cyclopropyl-3-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-3-[2-(4-phenylphthalazin-1-yl)sulfanylethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[1-oxo-2-[(4-phenyl-1-phthalazinyl)thio]ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[(4-phenylphthalazin-1-yl)thio]acetyl]amino]benzamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4O2S/c31-23(27-20-10-6-9-18(15-20)25(32)28-19-13-14-19)16-33-26-22-12-5-4-11-21(22)24(29-30-26)17-7-2-1-3-8-17/h1-12,15,19H,13-14,16H2,(H,27,31)(H,28,32)