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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-chloranyl-benzamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-chloro-benzamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-2-chlorobenzamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-2-chlorobenzamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-2-chloro-benzamide Formula: C21H14ClN3OS2 MolecularWeight: 423.93836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H14ClN3OS2/c22-15-9-3-1-7-13(15)19(26)25-21(27)24-16-10-4-2-8-14(16)20-23-17-11-5-6-12-18(17)28-20/h1-12H,(H2,24,25,26,27)