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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]thiocarbamoyl]benzamide Formula: C21H14BrN3OS2 MolecularWeight: 468.38936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H14BrN3OS2/c22-14-10-11-16(24-21(27)25-19(26)13-6-2-1-3-7-13)15(12-14)20-23-17-8-4-5-9-18(17)28-20/h1-12H,(H2,24,25,26,27)