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

Systemtic Name: 3-bromanyl-N-[[2-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[2-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[2-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[2-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-1,3-benzothiazol-6-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[2-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-1,3-benzothiazol-6-yl]thiocarbamoyl]-4-methoxy-benzamide Formula: C25H19Br2N5O4S3 MolecularWeight: 709.45246

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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)Br)Br

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)Br)Br

InChI

InChI=1S/C25H19Br2N5O4S3/c1-35-18-7-3-12(9-15(18)26)21(33)30-23(37)28-14-5-6-17-20(11-14)39-25(29-17)32-24(38)31-22(34)13-4-8-19(36-2)16(27)10-13/h3-11H,1-2H3,(H2,28,30,33,37)(H2,29,31,32,34,38)