1-(2-fluorophenyl)-3-[12-[(2-fluorophenyl)carbamothioylamino]dodecyl]thiourea

Systemtic Name: 1-(2-fluorophenyl)-3-[12-[(2-fluorophenyl)carbamothioylamino]dodecyl]thiourea Openeye Name: 1-(2-fluorophenyl)-3-[12-[(2-fluorophenyl)carbamothioylamino]dodecyl]thiourea CAS Name: 1-[12-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]dodecyl]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-(2-fluorophenyl)-3-[12-[(2-fluorophenyl)carbamothioylamino]dodecyl]thiourea Traditional Name: 1-(2-fluorophenyl)-3-[12-[(2-fluorophenyl)thiocarbamoylamino]dodecyl]thiourea Formula: C26H36F2N4S2 MolecularWeight: 506.717646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=S)NCCCCCCCCCCCCNC(=S)NC2=CC=CC=C2F)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=S)NCCCCCCCCCCCCNC(=S)NC2=CC=CC=C2F)F

InChI

InChI=1S/C26H36F2N4S2/c27-21-15-9-11-17-23(21)31-25(33)29-19-13-7-5-3-1-2-4-6-8-14-20-30-26(34)32-24-18-12-10-16-22(24)28/h9-12,15-18H,1-8,13-14,19-20H2,(H2,29,31,33)(H2,30,32,34)