1-(2-chloranyl-5-nitro-phenyl)-3-[2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]ethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]ethyl]thiourea CAS Name: 1-[2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]ethyl]-3-(2-chloro-5-nitrophenyl)thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[2-[(2-chloro-5-nitrophenyl)carbamothioylamino]ethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]ethyl]thiourea Formula: C16H14Cl2N6O4S2 MolecularWeight: 489.35616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14Cl2N6O4S2/c17-11-3-1-9(23(25)26)7-13(11)21-15(29)19-5-6-20-16(30)22-14-8-10(24(27)28)2-4-12(14)18/h1-4,7-8H,5-6H2,(H2,19,21,29)(H2,20,22,30)