3-cyano-N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3-cyano-N-[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3-cyano-N-[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 3-cyano-N-[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3-cyano-N-[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3-cyano-N-[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H20N4O2S2 MolecularWeight: 424.5391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20N4O2S2/c1-3-25(4-2)19(26)13-28-21-24-17-9-8-16(11-18(17)29-21)23-20(27)15-7-5-6-14(10-15)12-22/h5-11H,3-4,13H2,1-2H3,(H,23,27)