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

Systemtic Name: 3-bromanyl-N-(2-butylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 3-bromo-N-(2-butylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-bromo-N-[2-(butylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-bromo-N-(2-butylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 3-bromo-N-[2-(butylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C18H17BrN2OS2 MolecularWeight: 421.37438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CCCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H17BrN2OS2/c1-2-3-9-23-18-21-15-8-7-14(11-16(15)24-18)20-17(22)12-5-4-6-13(19)10-12/h4-8,10-11H,2-3,9H2,1H3,(H,20,22)