(5S)-5-tert-butyl-N'-(4-morpholin-4-yl-4-oxidanylidene-butanoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: (5S)-5-tert-butyl-N'-(4-morpholin-4-yl-4-oxidanylidene-butanoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: (5S)-5-tert-butyl-N'-(4-morpholino-4-oxo-butanoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: (5S)-5-tert-butyl-N'-[4-(4-morpholinyl)-1,4-dioxobutyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: (5S)-5-tert-butyl-N'-(4-morpholin-4-yl-4-oxobutanoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: (5S)-5-tert-butyl-N'-(4-keto-4-morpholino-butanoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)CCC(=O)N3CCOCC3

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)CCC(=O)N3CCOCC3

InChI

InChI=1S/C21H31N3O4S/c1-21(2,3)15-4-5-16-14(12-15)13-17(29-16)20(27)23-22-18(25)6-7-19(26)24-8-10-28-11-9-24/h13,15H,4-12H2,1-3H3,(H,22,25)(H,23,27)/t15-/m0/s1