N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C21H22N4O2S MolecularWeight: 394.48998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-3-14(2)22-21(27)23-18(26)13-28-20-17-12-8-7-11-16(17)19(24-25-20)15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H2,22,23,26,27)/t14-/m0/s1