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

Systemtic Name: 4-(dibutylsulfamoyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(dibutylsulfamoyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(dibutylsulfamoyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(dibutylsulfamoyl)-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(dibutylsulfamoyl)-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H28N4O5S2 MolecularWeight: 528.64362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)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(CCCC)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/C25H28N4O5S2/c1-4-7-16-27(17-8-5-2)36(33,34)21-12-9-19(10-13-21)24(30)26-25-28(15-6-3)22-14-11-20(29(31)32)18-23(22)35-25/h3,9-14,18H,4-5,7-8,15-17H2,1-2H3