1-(4-nitrophenyl)-3-[[3-[[(4-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl]thiourea

Systemtic Name: 1-(4-nitrophenyl)-3-[[3-[[(4-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl]thiourea Openeye Name: 1-(4-nitrophenyl)-3-[[3-[[(4-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl]thiourea CAS Name: 1-[[3-[[[(4-nitroanilino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-(4-nitrophenyl)-3-[[3-[[(4-nitrophenyl)carbamothioylamino]methyl]phenyl]methyl]thiourea Traditional Name: 1-(4-nitrophenyl)-3-[3-[[(4-nitrophenyl)thiocarbamoylamino]methyl]benzyl]thiourea Formula: C22H20N6O4S2 MolecularWeight: 496.562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])CNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])CNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O4S2/c29-27(30)19-8-4-17(5-9-19)25-21(33)23-13-15-2-1-3-16(12-15)14-24-22(34)26-18-6-10-20(11-7-18)28(31)32/h1-12H,13-14H2,(H2,23,25,33)(H2,24,26,34)