2-[2-(4-bromanylphenoxy)ethanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H22BrN3O3S MolecularWeight: 500.40808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=C(C=C3)Br)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=C(C=C3)Br)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H22BrN3O3S/c24-16-7-9-17(10-8-16)30-14-20(28)27-23-21(18-5-1-2-6-19(18)31-23)22(29)26-13-15-4-3-11-25-12-15/h3-4,7-12H,1-2,5-6,13-14H2,(H,26,29)(H,27,28)