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

Systemtic Name: 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(2-bromo-4-methylphenoxy)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-12-8-9-15(14(21)11-12)26-10-4-7-17(24)23-20-18(19(22)25)13-5-2-3-6-16(13)27-20/h8-9,11H,2-7,10H2,1H3,(H2,22,25)(H,23,24)