N-tert-butyl-1-oxidanylidene-N-(phenylmethyl)isothiochromene-3-carboxamide

Systemtic Name: N-tert-butyl-1-oxidanylidene-N-(phenylmethyl)isothiochromene-3-carboxamide Openeye Name: N-benzyl-N-tert-butyl-1-oxo-isothiochromene-3-carboxamide CAS Name: N-tert-butyl-1-oxo-N-(phenylmethyl)-2-benzothiopyran-3-carboxamide IUPAC Name: N-benzyl-N-tert-butyl-1-oxoisothiochromene-3-carboxamide Traditional Name: N-benzyl-N-tert-butyl-1-keto-isothiochromene-3-carboxamide Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C21H21NO2S/c1-21(2,3)22(14-15-9-5-4-6-10-15)19(23)18-13-16-11-7-8-12-17(16)20(24)25-18/h4-13H,14H2,1-3H3