N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonyl-benzamide

Systemtic Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonyl-benzamide Openeye Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonyl-benzamide CAS Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonylbenzamide IUPAC Name: N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-methylsulfonylbenzamide Traditional Name: N-(6-butyl-3-propargyl-1,3-benzothiazol-2-ylidene)-2-mesyl-benzamide Formula: C22H22N2O3S2 MolecularWeight: 426.55168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CC#C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CC#C

InChI

InChI=1S/C22H22N2O3S2/c1-4-6-9-16-12-13-18-19(15-16)28-22(24(18)14-5-2)23-21(25)17-10-7-8-11-20(17)29(3,26)27/h2,7-8,10-13,15H,4,6,9,14H2,1,3H3