4-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C21H20N4O3S/c1-27-16-7-8-17-18(19(16)28-2)23-21(29-17)25-11-9-24(10-12-25)20(26)15-5-3-14(13-22)4-6-15/h3-8H,9-12H2,1-2H3