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

Systemtic Name: 2-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H26BrClN2O3S MolecularWeight: 513.87544

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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)Cl)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrClN2O3S/c1-11-6-7-14-16(9-11)30-22(18(14)21(25)28)26-17(27)5-4-8-29-15-10-12(2)20(24)13(3)19(15)23/h10-11H,4-9H2,1-3H3,(H2,25,28)(H,26,27)