2-[2-[[(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[[(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[[(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[[(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]amino]thiophene-3-carboxamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)NCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC(=CC=C2)F)NCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C22H22FN3O2S/c1-2-14-6-8-15(9-7-14)20(16-4-3-5-17(23)12-16)25-13-19(27)26-22-18(21(24)28)10-11-29-22/h3-12,20,25H,2,13H2,1H3,(H2,24,28)(H,26,27)