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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2-iodo-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-2-iodobenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-2-iodo-benzamide Formula: C22H16IN3OS2 MolecularWeight: 529.41641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)I

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)I

InChI

InChI=1S/C22H16IN3OS2/c23-17-6-2-1-5-16(17)20(27)26-22(28)24-13-14-9-11-15(12-10-14)21-25-18-7-3-4-8-19(18)29-21/h1-12H,13H2,(H2,24,26,27,28)