N-[4-[1,1-bis(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-3-cyano-benzamide

Systemtic Name: N-[4-[1,1-bis(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-3-cyano-benzamide Openeye Name: N-[4-[1,1-bis(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-3-cyano-benzamide CAS Name: N-[4-[[[1,1-bis(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-3-cyanobenzamide IUPAC Name: N-[4-[1,1-bis(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-3-cyanobenzamide Traditional Name: N-[4-[1,1-bis(4-fluorophenyl)ethylthiocarbamoylamino]phenyl]-3-cyano-benzamide Formula: C29H22F2N4OS MolecularWeight: 512.572986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC(C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)NC(=S)NC3=CC=C(C=C3)NC(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C29H22F2N4OS/c1-29(21-5-9-23(30)10-6-21,22-7-11-24(31)12-8-22)35-28(37)34-26-15-13-25(14-16-26)33-27(36)20-4-2-3-19(17-20)18-32/h2-17H,1H3,(H,33,36)(H2,34,35,37)