2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C

InChI

InChI=1S/C22H27BrN2O3S/c1-12-5-7-14-17(9-12)29-21(19(14)20(24)27)25-18(26)11-28-16-8-6-13(23)10-15(16)22(2,3)4/h6,8,10,12H,5,7,9,11H2,1-4H3,(H2,24,27)(H,25,26)