4-bromanyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,5-dimethoxy-benzamide

Systemtic Name: 4-bromanyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,5-dimethoxy-benzamide Openeye Name: 4-bromo-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,5-dimethoxy-benzamide CAS Name: 4-bromo-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3,5-dimethoxybenzamide IUPAC Name: 4-bromo-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3,5-dimethoxybenzamide Traditional Name: 4-bromo-N-[2-[(2-cyanobenzyl)thio]ethyl]-3,5-dimethoxy-benzamide Formula: C19H19BrN2O3S MolecularWeight: 435.33476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C19H19BrN2O3S/c1-24-16-9-15(10-17(25-2)18(16)20)19(23)22-7-8-26-12-14-6-4-3-5-13(14)11-21/h3-6,9-10H,7-8,12H2,1-2H3,(H,22,23)