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

Systemtic Name: 2-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H18BrClN2O3S MolecularWeight: 457.76912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)OC3=C(C=C(C=C3)Cl)Br

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)OC3=C(C=C(C=C3)Cl)Br

InChI

InChI=1S/C18H18BrClN2O3S/c1-9(25-13-7-6-10(20)8-12(13)19)17(24)22-18-15(16(21)23)11-4-2-3-5-14(11)26-18/h6-9H,2-5H2,1H3,(H2,21,23)(H,22,24)