4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(3-nitrophenyl)thiazol-2-yl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[4-(3-nitrophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(3-nitrophenyl)thiazol-2-yl]thiocarbamoyl]benzamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3S2/c1-21(2,3)15-9-7-13(8-10-15)18(26)23-19(29)24-20-22-17(12-30-20)14-5-4-6-16(11-14)25(27)28/h4-12H,1-3H3,(H2,22,23,24,26,29)