tert-butyl N-[1-(1H-imidazol-5-yl)-4-(4-methylphenyl)sulfonyl-3-oxidanylidene-5-(2-oxidanylidene-3H-benzimidazol-1-yl)-5-sulfanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(1H-imidazol-5-yl)-4-(4-methylphenyl)sulfonyl-3-oxidanylidene-5-(2-oxidanylidene-3H-benzimidazol-1-yl)-5-sulfanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(1H-imidazol-5-ylmethyl)-2-oxo-4-(2-oxo-3H-benzimidazol-1-yl)-3-(p-tolylsulfonyl)-4-thioxo-butyl]carbamate CAS Name: N-[1-(1H-imidazol-5-yl)-4-(4-methylphenyl)sulfonyl-3-oxo-5-(2-oxo-3H-benzimidazol-1-yl)-5-sulfanylidenepentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(1H-imidazol-5-yl)-4-(4-methylphenyl)sulfonyl-3-oxo-5-(2-oxo-3H-benzimidazol-1-yl)-5-sulfanylidenepentan-2-yl]carbamate Traditional Name: N-[1-(1H-imidazol-5-ylmethyl)-2-keto-4-(2-keto-3H-benzimidazol-1-yl)-4-thioxo-3-tosyl-butyl]carbamic acid tert-butyl ester Formula: C27H29N5O6S2 MolecularWeight: 583.67906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)C(CC2=CN=CN2)NC(=O)OC(C)(C)C)C(=S)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(C(=O)C(CC2=CN=CN2)NC(=O)OC(C)(C)C)C(=S)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C27H29N5O6S2/c1-16-9-11-18(12-10-16)40(36,37)23(24(39)32-21-8-6-5-7-19(21)30-25(32)34)22(33)20(13-17-14-28-15-29-17)31-26(35)38-27(2,3)4/h5-12,14-15,20,23H,13H2,1-4H3,(H,28,29)(H,30,34)(H,31,35)