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

Systemtic Name: tert-butyl N-[3-oxidanylidene-5-(2-oxidanylidene-3H-benzimidazol-1-yl)-5-sulfanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-methyl-2-oxo-4-(2-oxo-3H-benzimidazol-1-yl)-4-thioxo-butyl]carbamate CAS Name: N-[3-oxo-5-(2-oxo-3H-benzimidazol-1-yl)-5-sulfanylidenepentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-oxo-5-(2-oxo-3H-benzimidazol-1-yl)-5-sulfanylidenepentan-2-yl]carbamate Traditional Name: N-[2-keto-4-(2-keto-3H-benzimidazol-1-yl)-1-methyl-4-thioxo-butyl]carbamic acid tert-butyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-10(18-16(23)24-17(2,3)4)13(21)9-14(25)20-12-8-6-5-7-11(12)19-15(20)22/h5-8,10H,9H2,1-4H3,(H,18,23)(H,19,22)