1-(6-nitro-1,3-benzothiazol-2-yl)-3-[(E)-1-(4-nitrophenyl)ethylideneamino]thiourea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[(E)-1-(4-nitrophenyl)ethylideneamino]thiourea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[(E)-1-(4-nitrophenyl)ethylideneamino]thiourea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[(E)-1-(4-nitrophenyl)ethylideneamino]thiourea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[(E)-1-(4-nitrophenyl)ethylideneamino]thiourea Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-[(E)-1-(4-nitrophenyl)ethylideneamino]thiourea Formula: C16H12N6O4S2 MolecularWeight: 416.43428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=S)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N6O4S2/c1-9(10-2-4-11(5-3-10)21(23)24)19-20-15(27)18-16-17-13-7-6-12(22(25)26)8-14(13)28-16/h2-8H,1H3,(H2,17,18,20,27)/b19-9+