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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)Br)NC(=S)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)Br)NC(=S)NC(=O)C4=CC(=CC=C4)Cl

InChI

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