N'-(4-tert-butylphenyl)carbonyl-1-oxidanylidene-isothiochromene-3-carbohydrazide

Systemtic Name: N'-(4-tert-butylphenyl)carbonyl-1-oxidanylidene-isothiochromene-3-carbohydrazide Openeye Name: N'-(4-tert-butylbenzoyl)-1-oxo-isothiochromene-3-carbohydrazide CAS Name: N'-[(4-tert-butylphenyl)-oxomethyl]-1-oxo-2-benzothiopyran-3-carbohydrazide IUPAC Name: N'-(4-tert-butylbenzoyl)-1-oxoisothiochromene-3-carbohydrazide Traditional Name: N'-(4-tert-butylbenzoyl)-1-keto-isothiochromene-3-carbohydrazide Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C21H20N2O3S/c1-21(2,3)15-10-8-13(9-11-15)18(24)22-23-19(25)17-12-14-6-4-5-7-16(14)20(26)27-17/h4-12H,1-3H3,(H,22,24)(H,23,25)