N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2-phenylmethoxy-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2-phenylmethoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-benzyloxy-4-[1-(4-cyanophenyl)ethylcarbamothioylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]-2-phenylmethoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2-phenylmethoxyphenyl]-2-fluorobenzamide Traditional Name: N-[2-benzoxy-4-[1-(4-cyanophenyl)ethylthiocarbamoylamino]phenyl]-2-fluoro-benzamide Formula: C30H25FN4O2S MolecularWeight: 524.608503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)OCC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)OCC4=CC=CC=C4

InChI

InChI=1S/C30H25FN4O2S/c1-20(23-13-11-21(18-32)12-14-23)33-30(38)34-24-15-16-27(35-29(36)25-9-5-6-10-26(25)31)28(17-24)37-19-22-7-3-2-4-8-22/h2-17,20H,19H2,1H3,(H,35,36)(H2,33,34,38)