N-(5-bromanyl-1,3-benzothiazol-2-yl)-N',N'-diethyl-ethane-1,2-diamine

Systemtic Name: N-(5-bromanyl-1,3-benzothiazol-2-yl)-N',N'-diethyl-ethane-1,2-diamine Openeye Name: N-(5-bromo-1,3-benzothiazol-2-yl)-N',N'-diethyl-ethane-1,2-diamine CAS Name: N-(5-bromo-1,3-benzothiazol-2-yl)-N',N'-diethylethane-1,2-diamine IUPAC Name: N-(5-bromo-1,3-benzothiazol-2-yl)-N',N'-diethylethane-1,2-diamine Traditional Name: 2-[(5-bromo-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-amine Formula: C13H18BrN3S MolecularWeight: 328.27112

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=NC2=C(S1)C=CC(=C2)Br

Isomeric SMILES

CCN(CC)CCNC1=NC2=C(S1)C=CC(=C2)Br

InChI

InChI=1S/C13H18BrN3S/c1-3-17(4-2)8-7-15-13-16-11-9-10(14)5-6-12(11)18-13/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,16)