3-[(4-methoxyphenyl)-[2-(4-phenylphthalazin-1-yl)sulfanylethanoyl]amino]propanamide

Systemtic Name: 3-[(4-methoxyphenyl)-[2-(4-phenylphthalazin-1-yl)sulfanylethanoyl]amino]propanamide Openeye Name: 3-(4-methoxy-N-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]anilino)propanamide CAS Name: 3-(4-methoxy-N-[1-oxo-2-[(4-phenyl-1-phthalazinyl)thio]ethyl]anilino)propanamide IUPAC Name: 3-(4-methoxy-N-[2-(4-phenylphthalazin-1-yl)sulfanylacetyl]anilino)propanamide Traditional Name: 3-(4-methoxy-N-[2-[(4-phenylphthalazin-1-yl)thio]acetyl]anilino)propionamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H24N4O3S/c1-33-20-13-11-19(12-14-20)30(16-15-23(27)31)24(32)17-34-26-22-10-6-5-9-21(22)25(28-29-26)18-7-3-2-4-8-18/h2-14H,15-17H2,1H3,(H2,27,31)