N-[[1H-benzimidazol-2-yl-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylcarbamothioyl]amino]carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[[1H-benzimidazol-2-yl-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylcarbamothioyl]amino]carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[[1H-benzimidazol-2-yl-[(2-methyl-5-morpholinosulfonyl-benzoyl)carbamothioyl]amino]carbamothioyl]-2-methyl-5-morpholinosulfonyl-benzamide CAS Name: N-[[2-(1H-benzimidazol-2-yl)-2-[[[[2-methyl-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]hydrazinyl]-sulfanylidenemethyl]-2-methyl-5-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[1H-benzimidazol-2-yl-[(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)carbamothioyl]amino]carbamothioyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[[1H-benzimidazol-2-yl-[(2-methyl-5-morpholinosulfonyl-benzoyl)thiocarbamoyl]amino]thiocarbamoyl]-2-methyl-5-morpholinosulfonyl-benzamide Formula: C33H36N8O8S4 MolecularWeight: 800.94774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(=S)NN(C3=NC4=CC=CC=C4N3)C(=S)NC(=O)C5=C(C=CC(=C5)S(=O)(=O)N6CCOCC6)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)NC(=S)NN(C3=NC4=CC=CC=C4N3)C(=S)NC(=O)C5=C(C=CC(=C5)S(=O)(=O)N6CCOCC6)C

InChI

InChI=1S/C33H36N8O8S4/c1-21-7-9-23(52(44,45)39-11-15-48-16-12-39)19-25(21)29(42)36-32(50)38-41(31-34-27-5-3-4-6-28(27)35-31)33(51)37-30(43)26-20-24(10-8-22(26)2)53(46,47)40-13-17-49-18-14-40/h3-10,19-20H,11-18H2,1-2H3,(H,34,35)(H,37,43,51)(H2,36,38,42,50)