5-bromanyl-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide Openeye Name: 5-bromo-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide CAS Name: 5-bromo-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-(2-diethylaminoethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide Traditional Name: 5-bromo-N-(2-diethylaminoethyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide Formula: C19H22BrN3O3S3 MolecularWeight: 516.49528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)S(=O)(=O)C)C(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C19H22BrN3O3S3/c1-4-22(5-2)10-11-23(18(24)15-8-9-17(20)27-15)19-21-14-7-6-13(29(3,25)26)12-16(14)28-19/h6-9,12H,4-5,10-11H2,1-3H3