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

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-4-(dibutylsulfamoyl)benzamide Formula: C25H28BrN3O3S2 MolecularWeight: 562.54212

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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)Br)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)Br)CC#C

InChI

InChI=1S/C25H28BrN3O3S2/c1-4-7-16-28(17-8-5-2)34(31,32)21-12-9-19(10-13-21)24(30)27-25-29(15-6-3)22-14-11-20(26)18-23(22)33-25/h3,9-14,18H,4-5,7-8,15-17H2,1-2H3