2-[2-(2-cyanophenyl)sulfanylphenyl]-4-heptoxy-benzamide

Systemtic Name: 2-[2-(2-cyanophenyl)sulfanylphenyl]-4-heptoxy-benzamide Openeye Name: 2-[2-(2-cyanophenyl)sulfanylphenyl]-4-heptoxy-benzamide CAS Name: 2-[2-[(2-cyanophenyl)thio]phenyl]-4-heptoxybenzamide IUPAC Name: 2-[2-(2-cyanophenyl)sulfanylphenyl]-4-heptoxybenzamide Traditional Name: 2-[2-[(2-cyanophenyl)thio]phenyl]-4-heptoxy-benzamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(=C(C=C1)C(=O)N)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CCCCCCCOC1=CC(=C(C=C1)C(=O)N)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C27H28N2O2S/c1-2-3-4-5-10-17-31-21-15-16-23(27(29)30)24(18-21)22-12-7-9-14-26(22)32-25-13-8-6-11-20(25)19-28/h6-9,11-16,18H,2-5,10,17H2,1H3,(H2,29,30)