4-(dimethylsulfamoyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(dimethylsulfamoyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(dimethylsulfamoyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(dimethylsulfamoyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(dimethylsulfamoyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(dimethylsulfamoyl)-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C19H16N4O5S2 MolecularWeight: 444.48414

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C19H16N4O5S2/c1-4-11-22-16-10-7-14(23(25)26)12-17(16)29-19(22)20-18(24)13-5-8-15(9-6-13)30(27,28)21(2)3/h1,5-10,12H,11H2,2-3H3