2-[2,3-bis(bromanyl)phenyl]-N-(3-chlorophenyl)-2H-1,3-benzothiazole-3-carbothioamide

Systemtic Name: 2-[2,3-bis(bromanyl)phenyl]-N-(3-chlorophenyl)-2H-1,3-benzothiazole-3-carbothioamide Openeye Name: N-(3-chlorophenyl)-2-(2,3-dibromophenyl)-2H-1,3-benzothiazole-3-carbothioamide CAS Name: N-(3-chlorophenyl)-2-(2,3-dibromophenyl)-2H-1,3-benzothiazole-3-carbothioamide IUPAC Name: N-(3-chlorophenyl)-2-(2,3-dibromophenyl)-2H-1,3-benzothiazole-3-carbothioamide Traditional Name: N-(3-chlorophenyl)-2-(2,3-dibromophenyl)-2H-1,3-benzothiazole-3-carbothioamide Formula: C20H13Br2ClN2S2 MolecularWeight: 540.72162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(S2)C3=C(C(=CC=C3)Br)Br)C(=S)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N(C(S2)C3=C(C(=CC=C3)Br)Br)C(=S)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H13Br2ClN2S2/c21-15-8-4-7-14(18(15)22)19-25(16-9-1-2-10-17(16)27-19)20(26)24-13-6-3-5-12(23)11-13/h1-11,19H,(H,24,26)