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

Systemtic Name: 3-[(3-bromanylphenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide Openeye Name: 3-[(3-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide CAS Name: 3-[(3-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide IUPAC Name: 3-[(3-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide Traditional Name: 3-[(3-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(=CC=C3)COC4=CC(=CC=C4)Br)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)COC4=CC(=CC=C4)Br)C#N

InChI

InChI=1S/C23H19BrN2O2S/c24-17-7-4-8-18(12-17)28-14-15-5-3-6-16(11-15)22(27)26-23-20(13-25)19-9-1-2-10-21(19)29-23/h3-8,11-12H,1-2,9-10,14H2,(H,26,27)