N-[3-(1,3-dithian-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-2-[[[(4-fluorophenyl)methylamino]-oxomethyl]amino]pentanamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]pentanamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-2-[(4-fluorobenzyl)carbamoylamino]valeramide Formula: C23H28FN3O2S2 MolecularWeight: 461.615723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=CC=CC(=C1)C2SCCCS2)NC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCC(C(=O)NC1=CC=CC(=C1)C2SCCCS2)NC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C23H28FN3O2S2/c1-2-5-20(27-23(29)25-15-16-8-10-18(24)11-9-16)21(28)26-19-7-3-6-17(14-19)22-30-12-4-13-31-22/h3,6-11,14,20,22H,2,4-5,12-13,15H2,1H3,(H,26,28)(H2,25,27,29)