2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methyl-methyl-amino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methyl-methyl-amino]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-[(5-bromo-2-methoxy-benzyl)-methyl-amino]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CN(CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C20H22BrN3O2S/c1-24(11-13-9-14(21)7-8-17(13)26-2)12-19(25)23-20-16(10-22)15-5-3-4-6-18(15)27-20/h7-9H,3-6,11-12H2,1-2H3,(H,23,25)