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

Systemtic Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(4-fluorophenyl)sulfanylpropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-[(4-fluorophenyl)thio]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H19FN2O2S2 MolecularWeight: 378.484063

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=CC=C(C=C3)F)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCSC3=CC=C(C=C3)F)C(=O)N

InChI

InChI=1S/C18H19FN2O2S2/c19-11-5-7-12(8-6-11)24-10-9-15(22)21-18-16(17(20)23)13-3-1-2-4-14(13)25-18/h5-8H,1-4,9-10H2,(H2,20,23)(H,21,22)