1-[[2-(dimethylamino)-5-nitro-phenyl]carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-[[2-(dimethylamino)-5-nitro-phenyl]carbonylamino]-3-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-[[2-(dimethylamino)-5-nitro-benzoyl]amino]-3-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-[[[2-(dimethylamino)-5-nitrophenyl]-oxomethyl]amino]-3-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-[[2-(dimethylamino)-5-nitrobenzoyl]amino]-3-[(4-fluorophenyl)methyl]thiourea Traditional Name: 1-[[2-(dimethylamino)-5-nitro-benzoyl]amino]-3-(4-fluorobenzyl)thiourea Formula: C17H18FN5O3S MolecularWeight: 391.419923

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NNC(=S)NCC2=CC=C(C=C2)F

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NNC(=S)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C17H18FN5O3S/c1-22(2)15-8-7-13(23(25)26)9-14(15)16(24)20-21-17(27)19-10-11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3,(H,20,24)(H2,19,21,27)