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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]-4-bromanyl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamothioyl]-4-bromo-benzamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-sulfanylidenemethyl]-4-bromobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]-4-bromobenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]thiocarbamoyl]-4-bromo-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=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

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

InChI

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