N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclopentyl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cyclopentyl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-cyclopentyl-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-cyclopentyl-N-[(3S)-1,1-diketothiolan-3-yl]-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)N([C@H]2CCS(=O)(=O)C2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O3S2/c29-23(28(19-10-4-5-11-19)20-14-15-33(30,31)17-20)16-32-25-22-13-7-6-12-21(22)24(26-27-25)18-8-2-1-3-9-18/h1-3,6-9,12-13,19-20H,4-5,10-11,14-17H2/t20-/m0/s1