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

Systemtic Name: 2-acetamido-6-tert-butyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-acetamido-6-tert-butyl-N-(m-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-acetamido-6-tert-butyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-acetamido-6-tert-butyl-N-(3-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-acetamido-6-tert-butyl-N-(m-tolyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)NC(=O)C

InChI

InChI=1S/C22H28N2O2S/c1-13-7-6-8-16(11-13)24-20(26)19-17-10-9-15(22(3,4)5)12-18(17)27-21(19)23-14(2)25/h6-8,11,15H,9-10,12H2,1-5H3,(H,23,25)(H,24,26)