N-cyclopentyl-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclopentyl-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanyl-ethanamide Openeye Name: 2-[4-(allylamino)phthalazin-1-yl]sulfanyl-N-cyclopentyl-acetamide CAS Name: N-cyclopentyl-2-[[4-(prop-2-enylamino)-1-phthalazinyl]thio]acetamide IUPAC Name: N-cyclopentyl-2-[4-(prop-2-enylamino)phthalazin-1-yl]sulfanylacetamide Traditional Name: 2-[[4-(allylamino)phthalazin-1-yl]thio]-N-cyclopentyl-acetamide Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(C2=CC=CC=C21)SCC(=O)NC3CCCC3

Isomeric SMILES

C=CCNC1=NN=C(C2=CC=CC=C21)SCC(=O)NC3CCCC3

InChI

InChI=1S/C18H22N4OS/c1-2-11-19-17-14-9-5-6-10-15(14)18(22-21-17)24-12-16(23)20-13-7-3-4-8-13/h2,5-6,9-10,13H,1,3-4,7-8,11-12H2,(H,19,21)(H,20,23)