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

Systemtic Name: 6-tert-butyl-N-phenyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-N-phenyl-2-(propanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-(1-oxopropylamino)-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-N-phenyl-2-(propanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-N-phenyl-2-propionamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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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=CC=C3

Isomeric SMILES

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

InChI

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