3-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-N-(3-cyanothiophen-2-yl)propanamide

Systemtic Name: 3-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-N-(3-cyanothiophen-2-yl)propanamide Openeye Name: 3-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-N-(3-cyano-2-thienyl)propanamide CAS Name: 3-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyano-2-thiophenyl)propanamide IUPAC Name: 3-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyanothiophen-2-yl)propanamide Traditional Name: 3-[(5-bromo-2-methoxy-benzyl)-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)CC2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CN(CCC(=O)NC1=C(C=CS1)C#N)CC2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C17H18BrN3O2S/c1-21(11-13-9-14(18)3-4-15(13)23-2)7-5-16(22)20-17-12(10-19)6-8-24-17/h3-4,6,8-9H,5,7,11H2,1-2H3,(H,20,22)