5-tert-butyl-N'-(2-methylsulfonylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: 5-tert-butyl-N'-(2-methylsulfonylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: 5-tert-butyl-N'-(2-methylsulfonylbenzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: 5-tert-butyl-N'-[(2-methylsulfonylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: 5-tert-butyl-N'-(2-methylsulfonylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: 5-tert-butyl-N'-(2-mesylbenzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C21H26N2O4S2/c1-21(2,3)14-9-10-16-13(11-14)12-17(28-16)20(25)23-22-19(24)15-7-5-6-8-18(15)29(4,26)27/h5-8,12,14H,9-11H2,1-4H3,(H,22,24)(H,23,25)