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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]-2-chloranyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]-2-chloro-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]-2-chlorobenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]-2-chlorobenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]thiocarbamoyl]-2-chloro-benzamide Formula: C21H13BrClN3OS2 MolecularWeight: 502.83442

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H13BrClN3OS2/c22-12-9-10-16(14(11-12)20-24-17-7-3-4-8-18(17)29-20)25-21(28)26-19(27)13-5-1-2-6-15(13)23/h1-11H,(H2,25,26,27,28)