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

Systemtic Name: 5-tert-butyl-N'-(4-methylsulfonylphenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: 5-tert-butyl-N'-(4-methylsulfonylbenzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: 5-tert-butyl-N'-[(4-methylsulfonylphenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: 5-tert-butyl-N'-(4-methylsulfonylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: 5-tert-butyl-N'-(4-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=C(C=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

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