N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(diethylsulfamoyl)benzamide

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(diethylsulfamoyl)benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(diethylsulfamoyl)benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(diethylsulfamoyl)benzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(diethylsulfamoyl)benzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(diethylsulfamoyl)benzamide Formula: C21H20BrN3O3S2 MolecularWeight: 506.4358

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

InChI

InChI=1S/C21H20BrN3O3S2/c1-4-13-25-18-12-9-16(22)14-19(18)29-21(25)23-20(26)15-7-10-17(11-8-15)30(27,28)24(5-2)6-3/h1,7-12,14H,5-6,13H2,2-3H3