N-[3-[(4-fluorophenyl)-[(4-methylphenyl)carbamoyl]amino]propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-[(4-fluorophenyl)-[(4-methylphenyl)carbamoyl]amino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-[4-fluoro-N-(p-tolylcarbamoyl)anilino]propyl]thiophene-2-carboxamide CAS Name: N-[3-(4-fluoro-N-[(4-methylanilino)-oxomethyl]anilino)propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-[4-fluoro-N-[(4-methylphenyl)carbamoyl]anilino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-[4-fluoro-N-(p-tolylcarbamoyl)anilino]propyl]thiophene-2-carboxamide Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N(CCCNC(=O)C2=CC=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N(CCCNC(=O)C2=CC=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H22FN3O2S/c1-16-5-9-18(10-6-16)25-22(28)26(19-11-7-17(23)8-12-19)14-3-13-24-21(27)20-4-2-15-29-20/h2,4-12,15H,3,13-14H2,1H3,(H,24,27)(H,25,28)