4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-prop-2-ynyl-butan-1-amine hydrochloride

Systemtic Name: 4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-prop-2-ynyl-butan-1-amine hydrochloride Openeye Name: 4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-prop-2-ynyl-butan-1-amine hydrochloride CAS Name: 4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-prop-2-ynyl-1-butanamine hydrochloride IUPAC Name: 4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]-N-prop-2-ynylbutan-1-amine hydrochloride Traditional Name: 4-[[3-(4-bromophenyl)-1,2-benzothiazol-6-yl]oxy]butyl-propargyl-amine hydrochloride Formula: C20H20BrClN2OS MolecularWeight: 451.8076

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNCCCCOC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br.Cl

Isomeric SMILES

C#CCNCCCCOC1=CC2=C(C=C1)C(=NS2)C3=CC=C(C=C3)Br.Cl

InChI

InChI=1S/C20H19BrN2OS.ClH/c1-2-11-22-12-3-4-13-24-17-9-10-18-19(14-17)25-23-20(18)15-5-7-16(21)8-6-15;/h1,5-10,14,22H,3-4,11-13H2;1H