1-(3-fluorophenyl)-1-[[(E)-N-(phenylsulfonyl)-C-pyrrolidin-1-yl-carbonimidoyl]amino]thiourea

Systemtic Name: 1-(3-fluorophenyl)-1-[[(E)-N-(phenylsulfonyl)-C-pyrrolidin-1-yl-carbonimidoyl]amino]thiourea Openeye Name: 1-[[(E)-N-(benzenesulfonyl)-C-pyrrolidin-1-yl-carbonimidoyl]amino]-1-(3-fluorophenyl)thiourea CAS Name: 1-[[(E)-benzenesulfonylimino(1-pyrrolidinyl)methyl]amino]-1-(3-fluorophenyl)thiourea IUPAC Name: 1-[[(E)-N-(benzenesulfonyl)-C-pyrrolidin-1-ylcarbonimidoyl]amino]-1-(3-fluorophenyl)thiourea Traditional Name: 1-[[(E)-N-besyl-C-pyrrolidino-carbonimidoyl]amino]-1-(3-fluorophenyl)thiourea Formula: C18H20FN5O2S2 MolecularWeight: 421.512103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=NS(=O)(=O)C2=CC=CC=C2)NN(C3=CC(=CC=C3)F)C(=S)N

Isomeric SMILES

C1CCN(C1)/C(=N\S(=O)(=O)C2=CC=CC=C2)/NN(C3=CC(=CC=C3)F)C(=S)N

InChI

InChI=1S/C18H20FN5O2S2/c19-14-7-6-8-15(13-14)24(17(20)27)21-18(23-11-4-5-12-23)22-28(25,26)16-9-2-1-3-10-16/h1-3,6-10,13H,4-5,11-12H2,(H2,20,27)(H,21,22)