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

Systemtic Name: 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)N)Br

InChI

InChI=1S/C22H27BrN2O3S/c1-3-14-7-9-17(16(23)12-14)28-10-4-5-19(26)25-22-20(21(24)27)15-8-6-13(2)11-18(15)29-22/h7,9,12-13H,3-6,8,10-11H2,1-2H3,(H2,24,27)(H,25,26)