3-(2-fluorophenyl)-1-[4-[(2-fluorophenyl)carbamothioylamino]phenyl]-1-phenethyl-thiourea

Systemtic Name: 3-(2-fluorophenyl)-1-[4-[(2-fluorophenyl)carbamothioylamino]phenyl]-1-phenethyl-thiourea Openeye Name: 3-(2-fluorophenyl)-1-[4-[(2-fluorophenyl)carbamothioylamino]phenyl]-1-phenethyl-thiourea CAS Name: 1-[4-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]phenyl]-3-(2-fluorophenyl)-1-phenethylthiourea IUPAC Name: 3-(2-fluorophenyl)-1-[4-[(2-fluorophenyl)carbamothioylamino]phenyl]-1-phenethylthiourea Traditional Name: 3-(2-fluorophenyl)-1-[4-[(2-fluorophenyl)thiocarbamoylamino]phenyl]-1-phenethyl-thiourea Formula: C28H24F2N4S2 MolecularWeight: 518.643766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3F)C(=S)NC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CCN(C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3F)C(=S)NC4=CC=CC=C4F

InChI

InChI=1S/C28H24F2N4S2/c29-23-10-4-6-12-25(23)32-27(35)31-21-14-16-22(17-15-21)34(19-18-20-8-2-1-3-9-20)28(36)33-26-13-7-5-11-24(26)30/h1-17H,18-19H2,(H,33,36)(H2,31,32,35)