1-(4-fluorophenyl)-3-[[N-[(4-fluorophenyl)carbamothioylamino]-N'-(phenylsulfonyl)carbamimidoyl]amino]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[[N-[(4-fluorophenyl)carbamothioylamino]-N'-(phenylsulfonyl)carbamimidoyl]amino]thiourea Openeye Name: 1-[[N'-(benzenesulfonyl)-N-[(4-fluorophenyl)carbamothioylamino]carbamimidoyl]amino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[benzenesulfonylimino-[[(4-fluoroanilino)-sulfanylidenemethyl]hydrazo]methyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[[N'-(benzenesulfonyl)-N-[(4-fluorophenyl)carbamothioylamino]carbamimidoyl]amino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[[N'-besyl-N-[(4-fluorophenyl)thiocarbamoylamino]amidino]amino]-3-(4-fluorophenyl)thiourea Formula: C21H19F2N7O2S3 MolecularWeight: 535.613066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N=C(NNC(=S)NC2=CC=C(C=C2)F)NNC(=S)NC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N=C(NNC(=S)NC2=CC=C(C=C2)F)NNC(=S)NC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19F2N7O2S3/c22-14-6-10-16(11-7-14)24-20(33)28-26-19(30-35(31,32)18-4-2-1-3-5-18)27-29-21(34)25-17-12-8-15(23)9-13-17/h1-13H,(H2,24,28,33)(H2,25,29,34)(H2,26,27,30)