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

Systemtic Name: 4-[butyl(ethyl)sulfamoyl]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[butyl(ethyl)sulfamoyl]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[butyl(ethyl)sulfamoyl]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[butyl(ethyl)sulfamoyl]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[butyl(ethyl)sulfamoyl]-N-(3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S2/c1-4-6-13-24(5-2)32(29,30)17-10-7-15(8-11-17)20(26)22-21-23(3)18-12-9-16(25(27)28)14-19(18)31-21/h7-12,14H,4-6,13H2,1-3H3