N-(3-methylbutylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-(isoamylcarbamoyl)-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2S/c1-15(2)12-13-23-22(28)24-19(27)14-29-21-18-11-7-6-10-17(18)20(25-26-21)16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H2,23,24,27,28)