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

Systemtic Name: N-butyl-2-[2-(2-cyanophenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-butyl-2-[[2-(2-cyanophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-butyl-2-[[2-(2-cyanophenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-butyl-2-[[2-(2-cyanophenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-butyl-2-[[2-(2-cyanophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

CCCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C22H25N3O3S/c1-2-3-12-24-21(27)20-16-9-5-7-11-18(16)29-22(20)25-19(26)14-28-17-10-6-4-8-15(17)13-23/h4,6,8,10H,2-3,5,7,9,11-12,14H2,1H3,(H,24,27)(H,25,26)