N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C20H17BrN4O5S2 MolecularWeight: 537.40678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H17BrN4O5S2/c1-3-30-17-7-5-12(9-15(17)25(27)28)18(26)23-19(31)24-20-22-14(10-32-20)11-4-6-16(29-2)13(21)8-11/h4-10H,3H2,1-2H3,(H2,22,23,24,26,31)