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

Systemtic Name: 3-bromanyl-N-[2-(2-oxidanylidenepropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: N-(2-acetonylsulfanyl-1,3-benzothiazol-6-yl)-3-bromo-benzamide CAS Name: 3-bromo-N-[2-(2-oxopropylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-bromo-N-[2-(2-oxopropylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: N-[2-(acetonylthio)-1,3-benzothiazol-6-yl]-3-bromo-benzamide Formula: C17H13BrN2O2S2 MolecularWeight: 421.33132

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H13BrN2O2S2/c1-10(21)9-23-17-20-14-6-5-13(8-15(14)24-17)19-16(22)11-3-2-4-12(18)7-11/h2-8H,9H2,1H3,(H,19,22)