1,3-bis[(3-nitrophenyl)carbamothioylamino]thiourea

Systemtic Name: 1,3-bis[(3-nitrophenyl)carbamothioylamino]thiourea Openeye Name: 1,3-bis[(3-nitrophenyl)carbamothioylamino]thiourea CAS Name: 1,3-bis[[(3-nitroanilino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1,3-bis[(3-nitrophenyl)carbamothioylamino]thiourea Traditional Name: 1,3-bis[(3-nitrophenyl)thiocarbamoylamino]thiourea Formula: C15H14N8O4S3 MolecularWeight: 466.51786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N8O4S3/c24-22(25)11-5-1-3-9(7-11)16-13(28)18-20-15(30)21-19-14(29)17-10-4-2-6-12(8-10)23(26)27/h1-8H,(H2,16,18,28)(H2,17,19,29)(H2,20,21,30)