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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide Formula: C27H32N4O4S2 MolecularWeight: 540.69738

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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)NC(=O)C)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)NC(=O)C)CC#C

InChI

InChI=1S/C27H32N4O4S2/c1-5-8-17-30(18-9-6-2)37(34,35)23-13-10-21(11-14-23)26(33)29-27-31(16-7-3)24-15-12-22(28-20(4)32)19-25(24)36-27/h3,10-15,19H,5-6,8-9,16-18H2,1-2,4H3,(H,28,32)