6-tert-butyl-N-(4-chlorophenyl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-N-(4-chlorophenyl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-N-(4-chlorophenyl)-2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-N-(4-chlorophenyl)-2-(1-oxopropylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-N-(4-chlorophenyl)-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-N-(4-chlorophenyl)-2-propionamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27ClN2O2S MolecularWeight: 418.97998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O2S/c1-5-18(26)25-21-19(20(27)24-15-9-7-14(23)8-10-15)16-11-6-13(22(2,3)4)12-17(16)28-21/h7-10,13H,5-6,11-12H2,1-4H3,(H,24,27)(H,25,26)