N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]-2-(2-dimethylaminoethyloxy)phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]-2-(2-dimethylaminoethyloxy)phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]-2-(2-dimethylaminoethyloxy)phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[1-(4-bromophenyl)ethylamino]-sulfanylidenemethyl]amino]-2-(2-dimethylaminoethyloxy)phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[1-(4-bromophenyl)ethylcarbamothioylamino]-2-(2-dimethylaminoethyloxy)phenyl]-2-fluorobenzamide Traditional Name: N-[4-[1-(4-bromophenyl)ethylthiocarbamoylamino]-2-(2-dimethylaminoethyloxy)phenyl]-2-fluoro-benzamide Formula: C26H28BrFN4O2S MolecularWeight: 559.493523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)OCCN(C)C

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)OCCN(C)C

InChI

InChI=1S/C26H28BrFN4O2S/c1-17(18-8-10-19(27)11-9-18)29-26(35)30-20-12-13-23(24(16-20)34-15-14-32(2)3)31-25(33)21-6-4-5-7-22(21)28/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)(H2,29,30,35)