3-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[2-(4-bromanylphenoxy)ethyl-methyl-amino]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[2-(4-bromophenoxy)ethyl-methyl-amino]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[2-(4-bromophenoxy)ethyl-methylamino]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[2-(4-bromophenoxy)ethyl-methyl-amino]-N-(3-cyano-2-thienyl)propionamide Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)NC1=C(C=CS1)C#N)CCOC2=CC=C(C=C2)Br

Isomeric SMILES

CN(CCC(=O)NC1=C(C=CS1)C#N)CCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrN3O2S/c1-21(9-10-23-15-4-2-14(18)3-5-15)8-6-16(22)20-17-13(12-19)7-11-24-17/h2-5,7,11H,6,8-10H2,1H3,(H,20,22)