N-[2-[4-(5-bromanylthiophen-2-yl)butanoylamino]ethyl]-3-fluoranyl-4-methyl-benzamide

Systemtic Name: N-[2-[4-(5-bromanylthiophen-2-yl)butanoylamino]ethyl]-3-fluoranyl-4-methyl-benzamide Openeye Name: N-[2-[4-(5-bromo-2-thienyl)butanoylamino]ethyl]-3-fluoro-4-methyl-benzamide CAS Name: N-[2-[[4-(5-bromo-2-thiophenyl)-1-oxobutyl]amino]ethyl]-3-fluoro-4-methylbenzamide IUPAC Name: N-[2-[4-(5-bromothiophen-2-yl)butanoylamino]ethyl]-3-fluoro-4-methylbenzamide Traditional Name: N-[2-[4-(5-bromo-2-thienyl)butanoylamino]ethyl]-3-fluoro-4-methyl-benzamide Formula: C18H20BrFN2O2S MolecularWeight: 427.331003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)CCCC2=CC=C(S2)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCNC(=O)CCCC2=CC=C(S2)Br)F

InChI

InChI=1S/C18H20BrFN2O2S/c1-12-5-6-13(11-15(12)20)18(24)22-10-9-21-17(23)4-2-3-14-7-8-16(19)25-14/h5-8,11H,2-4,9-10H2,1H3,(H,21,23)(H,22,24)