4-[butyl(methyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-[butyl(methyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[butyl(methyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[butyl(methyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[butyl(methyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[butyl(methyl)sulfamoyl]-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(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

CCCCN(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/C22H22N4O5S2/c1-4-6-14-24(3)33(30,31)18-10-7-16(8-11-18)21(27)23-22-25(13-5-2)19-12-9-17(26(28)29)15-20(19)32-22/h2,7-12,15H,4,6,13-14H2,1,3H3