1-[2,4-bis(fluoranyl)phenyl]-3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]thiourea

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]thiourea Openeye Name: 1-(2,4-difluorophenyl)-3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]thiourea CAS Name: 1-[[(2,4-difluoroanilino)-sulfanylidenemethyl]amino]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-(2,4-difluorophenyl)-3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1-(2,4-difluorophenyl)-3-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]thiourea Formula: C15H13F2N5O3S2 MolecularWeight: 413.422226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=S)NC2=C(C=C(C=C2)F)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=S)NC2=C(C=C(C=C2)F)F

InChI

InChI=1S/C15H13F2N5O3S2/c1-25-13-7-9(22(23)24)3-5-12(13)19-15(27)21-20-14(26)18-11-4-2-8(16)6-10(11)17/h2-7H,1H3,(H2,18,20,26)(H2,19,21,27)