tert-butyl N-[5-methyl-3-oxidanylidene-1-(2-oxidanylidene-3H-benzimidazol-1-yl)-1-sulfanylidene-heptan-4-yl]carbamate

Systemtic Name: tert-butyl N-[5-methyl-3-oxidanylidene-1-(2-oxidanylidene-3H-benzimidazol-1-yl)-1-sulfanylidene-heptan-4-yl]carbamate Openeye Name: tert-butyl N-[2-oxo-4-(2-oxo-3H-benzimidazol-1-yl)-1-sec-butyl-4-thioxo-butyl]carbamate CAS Name: N-[5-methyl-3-oxo-1-(2-oxo-3H-benzimidazol-1-yl)-1-sulfanylideneheptan-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-methyl-3-oxo-1-(2-oxo-3H-benzimidazol-1-yl)-1-sulfanylideneheptan-4-yl]carbamate Traditional Name: N-[2-keto-4-(2-keto-3H-benzimidazol-1-yl)-1-sec-butyl-4-thioxo-butyl]carbamic acid tert-butyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-6-12(2)17(22-19(26)27-20(3,4)5)15(24)11-16(28)23-14-10-8-7-9-13(14)21-18(23)25/h7-10,12,17H,6,11H2,1-5H3,(H,21,25)(H,22,26)