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

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[butyl(methyl)sulfamoyl]benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[butyl(methyl)sulfamoyl]benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[butyl(methyl)sulfamoyl]benzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-[butyl(methyl)sulfamoyl]benzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-4-[butyl(methyl)sulfamoyl]benzamide Formula: C22H22BrN3O3S2 MolecularWeight: 520.46238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(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

CCCCN(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/C22H22BrN3O3S2/c1-4-6-14-25(3)31(28,29)18-10-7-16(8-11-18)21(27)24-22-26(13-5-2)19-12-9-17(23)15-20(19)30-22/h2,7-12,15H,4,6,13-14H2,1,3H3