4-[bis(2-methylpropyl)sulfamoyl]-N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)Br)CC#C

Isomeric SMILES

CC(C)CN(CC(C)C)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/c1-6-13-29-22-12-9-20(26)14-23(22)33-25(29)27-24(30)19-7-10-21(11-8-19)34(31,32)28(15-17(2)3)16-18(4)5/h1,7-12,14,17-18H,13,15-16H2,2-5H3