4-ethoxy-N-[[2-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[[2-[(4-ethoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[2-[(4-ethoxy-3-nitro-benzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[[2-[[[[(4-ethoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[2-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[2-[(4-ethoxy-3-nitro-benzoyl)thiocarbamoylamino]-1,3-benzothiazol-6-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C27H23N7O8S3 MolecularWeight: 669.70862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC(=C(C=C4)OCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)N=C(S3)NC(=S)NC(=O)C4=CC(=C(C=C4)OCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H23N7O8S3/c1-3-41-20-9-5-14(11-18(20)33(37)38)23(35)30-25(43)28-16-7-8-17-22(13-16)45-27(29-17)32-26(44)31-24(36)15-6-10-21(42-4-2)19(12-15)34(39)40/h5-13H,3-4H2,1-2H3,(H2,28,30,35,43)(H2,29,31,32,36,44)