N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NN=C(C3=CC=CC=C32)C4=CC=CC=C4)OCC

InChI

InChI=1S/C28H29N3O3S/c1-3-33-24-15-14-20(18-25(24)34-4-2)16-17-29-26(32)19-35-28-23-13-9-8-12-22(23)27(30-31-28)21-10-6-5-7-11-21/h5-15,18H,3-4,16-17,19H2,1-2H3,(H,29,32)