2-bromanyl-N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 2-bromanyl-N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 2-bromo-N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 2-bromo-N-[2-(phenacylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-bromo-N-(2-phenacylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 2-bromo-N-[2-(phenacylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C22H15BrN2O2S2 MolecularWeight: 483.4007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN2O2S2/c23-17-9-5-4-8-16(17)21(27)24-15-10-11-18-20(12-15)29-22(25-18)28-13-19(26)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,27)