2-[2-(4-bromanylphenoxy)ethanoylamino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethanoylamino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-allyl-2-[[2-(4-bromophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-N-prop-2-enyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-allyl-2-[[2-(4-bromophenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

C=CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN2O3S/c1-2-11-22-19(25)18-15-5-3-4-6-16(15)27-20(18)23-17(24)12-26-14-9-7-13(21)8-10-14/h2,7-10H,1,3-6,11-12H2,(H,22,25)(H,23,24)