2-bromanyl-N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-bromanyl-N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-bromo-N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-bromo-N-[2-[(2-cyanophenyl)methylthio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-[2-[(2-cyanophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-bromo-N-[2-[(2-cyanobenzyl)thio]-1,3-benzothiazol-6-yl]benzamide Formula: C22H14BrN3OS2 MolecularWeight: 480.40006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=CC=C4Br)C#N

InChI

InChI=1S/C22H14BrN3OS2/c23-18-8-4-3-7-17(18)21(27)25-16-9-10-19-20(11-16)29-22(26-19)28-13-15-6-2-1-5-14(15)12-24/h1-11H,13H2,(H,25,27)