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

Systemtic Name: 3-bromanyl-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-bromo-N-(2-isopentylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 3-bromo-N-[2-(3-methylbutylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-bromo-N-[2-(3-methylbutylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-bromo-N-[2-(isoamylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C19H19BrN2OS2 MolecularWeight: 435.40096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H19BrN2OS2/c1-12(2)8-9-24-19-22-16-7-6-15(11-17(16)25-19)21-18(23)13-4-3-5-14(20)10-13/h3-7,10-12H,8-9H2,1-2H3,(H,21,23)