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

Systemtic Name: 2-acetamido-6-tert-butyl-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-acetamido-6-tert-butyl-N-(3-chlorophenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-acetamido-6-tert-butyl-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-acetamido-6-tert-butyl-N-(3-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-acetamido-6-tert-butyl-N-(3-chlorophenyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O2S/c1-12(25)23-20-18(19(26)24-15-7-5-6-14(22)11-15)16-9-8-13(21(2,3)4)10-17(16)27-20/h5-7,11,13H,8-10H2,1-4H3,(H,23,25)(H,24,26)