N-[2-(2-cyanophenyl)sulfanyl-4-methoxy-phenyl]-4-[(E)-hept-2-enoxy]benzamide

Systemtic Name: N-[2-(2-cyanophenyl)sulfanyl-4-methoxy-phenyl]-4-[(E)-hept-2-enoxy]benzamide Openeye Name: N-[2-(2-cyanophenyl)sulfanyl-4-methoxy-phenyl]-4-[(E)-hept-2-enoxy]benzamide CAS Name: N-[2-[(2-cyanophenyl)thio]-4-methoxyphenyl]-4-[(E)-hept-2-enoxy]benzamide IUPAC Name: N-[2-(2-cyanophenyl)sulfanyl-4-methoxyphenyl]-4-[(E)-hept-2-enoxy]benzamide Traditional Name: N-[2-[(2-cyanophenyl)thio]-4-methoxy-phenyl]-4-[(E)-hept-2-enoxy]benzamide Formula: C28H28N2O3S MolecularWeight: 472.59852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCOC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)SC3=CC=CC=C3C#N

Isomeric SMILES

CCCC/C=C/COC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)OC)SC3=CC=CC=C3C#N

InChI

InChI=1S/C28H28N2O3S/c1-3-4-5-6-9-18-33-23-14-12-21(13-15-23)28(31)30-25-17-16-24(32-2)19-27(25)34-26-11-8-7-10-22(26)20-29/h6-17,19H,3-5,18H2,1-2H3,(H,30,31)/b9-6+