4-[(2-bromanylphenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide

Systemtic Name: 4-[(2-bromanylphenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide Openeye Name: 4-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide CAS Name: 4-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide IUPAC Name: 4-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide Traditional Name: 4-[(2-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide Formula: C23H19BrN2O2S MolecularWeight: 467.37816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)COC4=CC=CC=C4Br)C#N

InChI

InChI=1S/C23H19BrN2O2S/c24-19-6-2-3-7-20(19)28-14-15-9-11-16(12-10-15)22(27)26-23-18(13-25)17-5-1-4-8-21(17)29-23/h2-3,6-7,9-12H,1,4-5,8,14H2,(H,26,27)