1-[2-ethyl-1-oxidanylidene-4-(1-sulfonylpropyl)-2H-1,3-benzothiazol-3-yl]ethanamine; 2-phenylethanamine; dihydrochloride

Systemtic Name: 1-[2-ethyl-1-oxidanylidene-4-(1-sulfonylpropyl)-2H-1,3-benzothiazol-3-yl]ethanamine; 2-phenylethanamine; dihydrochloride Openeye Name: 1-[2-ethyl-1-oxo-4-(1-sulfonylpropyl)-2H-1,3-benzothiazol-3-yl]ethanamine; 2-phenylethanamine; dihydrochloride CAS Name: 1-[2-ethyl-1-oxo-4-(1-sulfonylpropyl)-2H-1,3-benzothiazol-3-yl]ethanamine; 2-phenylethanamine; dihydrochloride IUPAC Name: 1-[2-ethyl-1-oxo-4-(1-sulfonylpropyl)-2H-1,3-benzothiazol-3-yl]ethanamine; 2-phenylethanamine; dihydrochloride Traditional Name: 1-[2-ethyl-1-keto-4-(1-sulfonylpropyl)-2H-1,3-benzothiazol-3-yl]ethylamine; phenethylamine; dihydrochloride Formula: C22H33Cl2N3O3S2 MolecularWeight: 522.55172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1N(C2=C(C=CC=C2S1=O)C(=S(=O)=O)CC)C(C)N.C1=CC=C(C=C1)CCN.Cl.Cl

Isomeric SMILES

CCC1N(C2=C(C=CC=C2S1=O)C(=S(=O)=O)CC)C(C)N.C1=CC=C(C=C1)CCN.Cl.Cl

InChI

InChI=1S/C14H20N2O3S2.C8H11N.2ClH/c1-4-11(21(18)19)10-7-6-8-12-14(10)16(9(3)15)13(5-2)20(12)17;9-7-6-8-4-2-1-3-5-8;;/h6-9,13H,4-5,15H2,1-3H3;1-5H,6-7,9H2;2*1H