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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]thiocarbamoyl]benzamide Formula: C21H14ClN3OS2 MolecularWeight: 423.93836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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