4-[1-(4-bromophenyl)ethylsulfanylcarbamoylamino]-3-[2-(2-diethylaminoethyloxy)phenyl]-2-fluoranyl-benzamide

Systemtic Name: 4-[1-(4-bromophenyl)ethylsulfanylcarbamoylamino]-3-[2-(2-diethylaminoethyloxy)phenyl]-2-fluoranyl-benzamide Openeye Name: 4-[1-(4-bromophenyl)ethylsulfanylcarbamoylamino]-3-[2-(2-diethylaminoethyloxy)phenyl]-2-fluoro-benzamide CAS Name: 4-[[[[1-(4-bromophenyl)ethylthio]amino]-oxomethyl]amino]-3-[2-(2-diethylaminoethyloxy)phenyl]-2-fluorobenzamide IUPAC Name: 4-[1-(4-bromophenyl)ethylsulfanylcarbamoylamino]-3-[2-(2-diethylaminoethyloxy)phenyl]-2-fluorobenzamide Traditional Name: 4-[[1-(4-bromophenyl)ethylthio]carbamoylamino]-3-[2-(2-diethylaminoethyloxy)phenyl]-2-fluoro-benzamide Formula: C28H32BrFN4O3S MolecularWeight: 603.546083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=CC=C1C2=C(C=CC(=C2F)C(=O)N)NC(=O)NSC(C)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN(CC)CCOC1=CC=CC=C1C2=C(C=CC(=C2F)C(=O)N)NC(=O)NSC(C)C3=CC=C(C=C3)Br

InChI

InChI=1S/C28H32BrFN4O3S/c1-4-34(5-2)16-17-37-24-9-7-6-8-21(24)25-23(15-14-22(26(25)30)27(31)35)32-28(36)33-38-18(3)19-10-12-20(29)13-11-19/h6-15,18H,4-5,16-17H2,1-3H3,(H2,31,35)(H2,32,33,36)