2-[2-(4-cyanophenoxy)propanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-cyanophenoxy)propanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[2-(4-cyanophenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-cyanophenoxy)-1-oxopropyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[2-(4-cyanophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[2-(4-cyanophenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CC=CC=C3)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)NCC3=CC=CC=C3)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H25N3O3S/c1-17(32-20-13-11-18(15-27)12-14-20)24(30)29-26-23(21-9-5-6-10-22(21)33-26)25(31)28-16-19-7-3-2-4-8-19/h2-4,7-8,11-14,17H,5-6,9-10,16H2,1H3,(H,28,31)(H,29,30)