2-ethylsulfanyl-3-[4-[2-(6-methoxy-1-oxidanylidene-4-phenyl-phthalazin-2-yl)propoxy]phenyl]propanamide

Systemtic Name: 2-ethylsulfanyl-3-[4-[2-(6-methoxy-1-oxidanylidene-4-phenyl-phthalazin-2-yl)propoxy]phenyl]propanamide Openeye Name: 2-ethylsulfanyl-3-[4-[2-(6-methoxy-1-oxo-4-phenyl-phthalazin-2-yl)propoxy]phenyl]propanamide CAS Name: 2-(ethylthio)-3-[4-[2-(6-methoxy-1-oxo-4-phenyl-2-phthalazinyl)propoxy]phenyl]propanamide IUPAC Name: 2-ethylsulfanyl-3-[4-[2-(6-methoxy-1-oxo-4-phenylphthalazin-2-yl)propoxy]phenyl]propanamide Traditional Name: 2-(ethylthio)-3-[4-[2-(1-keto-6-methoxy-4-phenyl-phthalazin-2-yl)propoxy]phenyl]propionamide Formula: C29H31N3O4S MolecularWeight: 517.63914

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC1=CC=C(C=C1)OCC(C)N2C(=O)C3=C(C=C(C=C3)OC)C(=N2)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCSC(CC1=CC=C(C=C1)OCC(C)N2C(=O)C3=C(C=C(C=C3)OC)C(=N2)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C29H31N3O4S/c1-4-37-26(28(30)33)16-20-10-12-22(13-11-20)36-18-19(2)32-29(34)24-15-14-23(35-3)17-25(24)27(31-32)21-8-6-5-7-9-21/h5-15,17,19,26H,4,16,18H2,1-3H3,(H2,30,33)