N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-bromanyl-2-chloranyl-benzamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-bromanyl-2-chloranyl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-bromo-2-chloro-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-5-bromo-2-chlorobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-5-bromo-2-chlorobenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-5-bromo-2-chloro-benzamide Formula: C22H15BrClN3OS2 MolecularWeight: 516.861

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrClN3OS2/c23-15-9-10-17(24)16(11-15)20(28)27-22(29)25-12-13-5-7-14(8-6-13)21-26-18-3-1-2-4-19(18)30-21/h1-11H,12H2,(H2,25,27,28,29)