4-tert-butyl-N-[2-[[(4-nitrophenyl)amino]methyl]-1,3-benzothiazol-5-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[[(4-nitrophenyl)amino]methyl]-1,3-benzothiazol-5-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-[(4-nitroanilino)methyl]-1,3-benzothiazol-5-yl]benzamide CAS Name: 4-tert-butyl-N-[2-[(4-nitroanilino)methyl]-1,3-benzothiazol-5-yl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[(4-nitroanilino)methyl]-1,3-benzothiazol-5-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-[(4-nitroanilino)methyl]-1,3-benzothiazol-5-yl]benzamide Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)CNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC(=N3)CNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O3S/c1-25(2,3)17-6-4-16(5-7-17)24(30)27-19-10-13-22-21(14-19)28-23(33-22)15-26-18-8-11-20(12-9-18)29(31)32/h4-14,26H,15H2,1-3H3,(H,27,30)