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

Systemtic Name: 2-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H24BrClN2O3S MolecularWeight: 499.84886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)C)Br)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C21H24BrClN2O3S/c1-11-10-14(18(22)12(2)19(11)23)28-9-5-8-16(26)25-21-17(20(24)27)13-6-3-4-7-15(13)29-21/h10H,3-9H2,1-2H3,(H2,24,27)(H,25,26)