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

Systemtic Name: 2-[2-(3-bromanylphenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(3-bromophenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(3-bromophenoxy)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(3-bromophenoxy)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-(3-bromophenoxy)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H19BrN2O3S MolecularWeight: 423.32406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O3S/c1-10(24-12-6-4-5-11(19)9-12)17(23)21-18-15(16(20)22)13-7-2-3-8-14(13)25-18/h4-6,9-10H,2-3,7-8H2,1H3,(H2,20,22)(H,21,23)