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

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1,3-bis[(4-nitrophenyl)sulfonyl]thiourea Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)-1,3-dinosyl-thiourea Formula: C26H15N7O12S4 MolecularWeight: 745.697

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C(=S)N(C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(C(=S)N(C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H15N7O12S4/c34-30(35)17-3-1-16(2-4-17)28(48(42,43)21-10-5-18(6-11-21)31(36)37)26(46)29(49(44,45)22-12-7-19(8-13-22)32(38)39)25-27-23-14-9-20(33(40)41)15-24(23)47-25/h1-15H