6-tert-butyl-2-[2-(3-chloranylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-2-[2-(3-chloranylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[2-(3-chlorophenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[2-(3-chlorophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[2-(3-chlorophenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27ClN2O3S MolecularWeight: 434.97938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)N)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)N)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2O3S/c1-12(28-15-7-5-6-14(23)11-15)20(27)25-21-18(19(24)26)16-9-8-13(22(2,3)4)10-17(16)29-21/h5-7,11-13H,8-10H2,1-4H3,(H2,24,26)(H,25,27)