4-butoxy-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methoxy-benzamide

Systemtic Name: 4-butoxy-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methoxy-benzamide Openeye Name: 4-butoxy-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methoxy-benzamide CAS Name: 4-butoxy-N-[2-[(2-cyanophenyl)methylthio]ethyl]-3-methoxybenzamide IUPAC Name: 4-butoxy-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-3-methoxybenzamide Traditional Name: 4-butoxy-N-[2-[(2-cyanobenzyl)thio]ethyl]-3-methoxy-benzamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N)OC

InChI

InChI=1S/C22H26N2O3S/c1-3-4-12-27-20-10-9-17(14-21(20)26-2)22(25)24-11-13-28-16-19-8-6-5-7-18(19)15-23/h5-10,14H,3-4,11-13,16H2,1-2H3,(H,24,25)