tert-butyl N-[1-methylsulfanyl-4-oxidanylidene-6-(2-oxidanylidene-3H-benzimidazol-1-yl)-6-sulfanylidene-hexan-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-methylsulfanyl-4-oxidanylidene-6-(2-oxidanylidene-3H-benzimidazol-1-yl)-6-sulfanylidene-hexan-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2-methylsulfanylethyl)-2-oxo-4-(2-oxo-3H-benzimidazol-1-yl)-4-thioxo-butyl]carbamate CAS Name: N-[1-(methylthio)-4-oxo-6-(2-oxo-3H-benzimidazol-1-yl)-6-sulfanylidenehexan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-methylsulfanyl-4-oxo-6-(2-oxo-3H-benzimidazol-1-yl)-6-sulfanylidenehexan-3-yl]carbamate Traditional Name: N-[2-keto-4-(2-keto-3H-benzimidazol-1-yl)-1-[2-(methylthio)ethyl]-4-thioxo-butyl]carbamic acid tert-butyl ester Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)CC(=S)N1C2=CC=CC=C2NC1=O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)CC(=S)N1C2=CC=CC=C2NC1=O

InChI

InChI=1S/C19H25N3O4S2/c1-19(2,3)26-18(25)21-13(9-10-28-4)15(23)11-16(27)22-14-8-6-5-7-12(14)20-17(22)24/h5-8,13H,9-11H2,1-4H3,(H,20,24)(H,21,25)