(2S)-2-(4-phenylphthalazin-1-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-(4-phenylphthalazin-1-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-N-(isopropylcarbamoyl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide CAS Name: (2S)-N-[oxo-(propan-2-ylamino)methyl]-2-[(4-phenyl-1-phthalazinyl)thio]propanamide IUPAC Name: (2S)-2-(4-phenylphthalazin-1-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-N-(isopropylcarbamoyl)-2-[(4-phenylphthalazin-1-yl)thio]propionamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)SC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)SC1=NN=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

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