1,3-bis(6-chloranylpyrazin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)thiourea

Systemtic Name: 1,3-bis(6-chloranylpyrazin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)thiourea Openeye Name: 1,3-bis(6-chloropyrazin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)thiourea CAS Name: 1,3-bis(6-chloro-2-pyrazinyl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1,3-bis(6-chloropyrazin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)thiourea Traditional Name: 1,3-bis(6-chloropyrazin-2-yl)-1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)thiourea Formula: C22H11Cl2N9O4S2 MolecularWeight: 600.41664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C2=CN=CC(=N2)Cl)C(=S)N(C3=CN=CC(=N3)Cl)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(C2=CN=CC(=N2)Cl)C(=S)N(C3=CN=CC(=N3)Cl)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H11Cl2N9O4S2/c23-17-8-25-10-19(28-17)30(12-1-3-13(4-2-12)32(34)35)22(38)31(20-11-26-9-18(24)29-20)21-27-15-6-5-14(33(36)37)7-16(15)39-21/h1-11H