N,N-bis[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-6-methoxy-6-phenyl-cyclohexa-2,4-diene-1-carboxamide

Systemtic Name: N,N-bis[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-6-methoxy-6-phenyl-cyclohexa-2,4-diene-1-carboxamide Openeye Name: N,N-bis[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-6-methoxy-6-phenyl-cyclohexa-2,4-diene-1-carboxamide CAS Name: N,N-bis[4-[[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-6-methoxy-6-phenyl-1-cyclohexa-2,4-dienecarboxamide IUPAC Name: N,N-bis[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]phenyl]-6-methoxy-6-phenylcyclohexa-2,4-diene-1-carboxamide Traditional Name: N,N-bis[4-[1-(4-fluorophenyl)ethylthiocarbamoylamino]phenyl]-6-methoxy-6-phenyl-cyclohexa-2,4-diene-1-carboxamide Formula: C44H41F2N5O2S2 MolecularWeight: 773.955446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)N(C3=CC=C(C=C3)NC(=S)NC(C)C4=CC=C(C=C4)F)C(=O)C5C=CC=CC5(C6=CC=CC=C6)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)N(C3=CC=C(C=C3)NC(=S)NC(C)C4=CC=C(C=C4)F)C(=O)C5C=CC=CC5(C6=CC=CC=C6)OC

InChI

InChI=1S/C44H41F2N5O2S2/c1-29(31-12-16-34(45)17-13-31)47-42(54)49-36-20-24-38(25-21-36)51(41(52)40-11-7-8-28-44(40,53-3)33-9-5-4-6-10-33)39-26-22-37(23-27-39)50-43(55)48-30(2)32-14-18-35(46)19-15-32/h4-30,40H,1-3H3,(H2,47,49,54)(H2,48,50,55)