2-[2-[(4-fluorophenyl)methyl-propanoyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[(4-fluorophenyl)methyl-propanoyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(4-fluorophenyl)methyl-propanoyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(4-fluorophenyl)methyl-(1-oxopropyl)amino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[(4-fluorophenyl)methyl-propanoylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(4-fluorobenzyl)-propionyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H24FN3O3S MolecularWeight: 417.496963

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC1=CC=C(C=C1)F)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CCC(=O)N(CC1=CC=C(C=C1)F)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

InChI=1S/C21H24FN3O3S/c1-2-18(27)25(11-13-7-9-14(22)10-8-13)12-17(26)24-21-19(20(23)28)15-5-3-4-6-16(15)29-21/h7-10H,2-6,11-12H2,1H3,(H2,23,28)(H,24,26)