N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(p-tolylsulfonylamino)benzamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[(4-methylphenyl)sulfonylamino]benzamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(tosylamino)benzamide Formula: C24H18BrN3O3S2 MolecularWeight: 540.45202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N=C3N(C4=C(S3)C=C(C=C4)Br)CC#C

InChI

InChI=1S/C24H18BrN3O3S2/c1-3-14-28-21-13-10-17(25)15-22(21)32-24(28)26-23(29)19-6-4-5-7-20(19)27-33(30,31)18-11-8-16(2)9-12-18/h1,4-13,15,27H,14H2,2H3