tert-butyl N-[3-oxidanylidene-5-(2-oxidanylidenebenzimidazol-4-yl)-5-sulfanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-oxidanylidene-5-(2-oxidanylidenebenzimidazol-4-yl)-5-sulfanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-methyl-2-oxo-4-(2-oxobenzimidazol-4-yl)-4-thioxo-butyl]carbamate CAS Name: N-[3-oxo-5-(2-oxo-4-benzimidazolyl)-5-sulfanylidenepentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-5-(2-oxobenzimidazol-4-yl)-5-sulfanylidenepentan-2-yl]carbamate Traditional Name: N-[2-keto-4-(2-ketobenzimidazol-4-yl)-1-methyl-4-thioxo-butyl]carbamic acid tert-butyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CC(=S)C1=CC=CC2=NC(=O)N=C21)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)CC(=S)C1=CC=CC2=NC(=O)N=C21)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H19N3O4S/c1-9(18-16(23)24-17(2,3)4)12(21)8-13(25)10-6-5-7-11-14(10)20-15(22)19-11/h5-7,9H,8H2,1-4H3,(H,18,23)