N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodanyl-phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodoanilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-iodo-phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C21H13IN4O3S2 MolecularWeight: 560.38739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H13IN4O3S2/c22-12-9-10-15(14(11-12)20-23-16-6-2-4-8-18(16)31-20)24-21(30)25-19(27)13-5-1-3-7-17(13)26(28)29/h1-11H,(H2,24,25,27,30)