1-(4-fluorophenyl)-3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thiourea

Systemtic Name: 1-(4-fluorophenyl)-3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]thiourea Openeye Name: 1-(4-fluorophenyl)-3-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]thiourea CAS Name: 1-(4-fluorophenyl)-3-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]thiourea Traditional Name: 1-(4-fluorophenyl)-3-[2-(4-mesyl-2-nitro-anilino)ethyl]thiourea Formula: C16H17FN4O4S2 MolecularWeight: 412.458983

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=S)NC2=CC=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=S)NC2=CC=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17FN4O4S2/c1-27(24,25)13-6-7-14(15(10-13)21(22)23)18-8-9-19-16(26)20-12-4-2-11(17)3-5-12/h2-7,10,18H,8-9H2,1H3,(H2,19,20,26)