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

Systemtic Name: 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H31BrN2O3S MolecularWeight: 507.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C24H31BrN2O3S/c1-14-7-9-16-19(12-14)31-23(21(16)22(26)29)27-20(28)6-5-11-30-18-10-8-15(13-17(18)25)24(2,3)4/h8,10,13-14H,5-7,9,11-12H2,1-4H3,(H2,26,29)(H,27,28)