N-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl]-4-tert-butyl-benzamide

Systemtic Name: N-[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl]-4-tert-butyl-benzamide Openeye Name: 4-tert-butyl-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]benzamide CAS Name: 4-tert-butyl-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)16-11-9-15(10-12-16)20(25)23-14-6-13-22-19-17-7-4-5-8-18(17)28(26,27)24-19/h4-5,7-12H,6,13-14H2,1-3H3,(H,22,24)(H,23,25)