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

Systemtic Name: 4-methoxy-N-[[2-[(4-methoxy-3-nitro-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[2-[(4-methoxy-3-nitro-benzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[[2-[[[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[2-[(4-methoxy-3-nitrobenzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[[2-[(4-methoxy-3-nitro-benzoyl)thiocarbamoylamino]-1,3-benzothiazol-6-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C25H19N7O8S3 MolecularWeight: 641.65546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=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)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H19N7O8S3/c1-39-18-7-3-12(9-16(18)31(35)36)21(33)28-23(41)26-14-5-6-15-20(11-14)43-25(27-15)30-24(42)29-22(34)13-4-8-19(40-2)17(10-13)32(37)38/h3-11H,1-2H3,(H2,26,28,33,41)(H2,27,29,30,34,42)