N-[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-quinolin-6-yl-ethyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide

Systemtic Name: N-[(1R)-2-(cyclohexylamino)-2-oxidanylidene-1-quinolin-6-yl-ethyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide Openeye Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(6-quinolyl)ethyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide CAS Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(6-quinolinyl)ethyl]-N-[(4-fluorophenyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-[(1R)-2-(cyclohexylamino)-2-oxo-1-quinolin-6-ylethyl]-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide Traditional Name: N-[(1R)-2-(cyclohexylamino)-2-keto-1-(6-quinolyl)ethyl]-N-(4-fluorobenzyl)thiophene-2-carboxamide Formula: C29H28FN3O2S MolecularWeight: 501.614923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C2=CC3=C(C=C2)N=CC=C3)N(CC4=CC=C(C=C4)F)C(=O)C5=CC=CS5

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@@H](C2=CC3=C(C=C2)N=CC=C3)N(CC4=CC=C(C=C4)F)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H28FN3O2S/c30-23-13-10-20(11-14-23)19-33(29(35)26-9-5-17-36-26)27(28(34)32-24-7-2-1-3-8-24)22-12-15-25-21(18-22)6-4-16-31-25/h4-6,9-18,24,27H,1-3,7-8,19H2,(H,32,34)/t27-/m1/s1