N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-ethoxy-4-(3-pyridylmethoxy)benzamide CAS Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-ethoxy-4-(3-pyridinylmethoxy)benzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfanylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide Traditional Name: N-[2-[(3,4-dimethylphenyl)thio]ethyl]-3-ethoxy-4-(3-pyridylmethoxy)benzamide Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)NCCSC2=CC(=C(C=C2)C)C)OCC3=CN=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)NCCSC2=CC(=C(C=C2)C)C)OCC3=CN=CC=C3

InChI

InChI=1S/C25H28N2O3S/c1-4-29-24-15-21(8-10-23(24)30-17-20-6-5-11-26-16-20)25(28)27-12-13-31-22-9-7-18(2)19(3)14-22/h5-11,14-16H,4,12-13,17H2,1-3H3,(H,27,28)