N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholin-4-ylpropyl)benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholin-4-ylpropyl)benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholinopropyl)benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-cyano-N-[3-(4-morpholinyl)propyl]benzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholin-4-ylpropyl)benzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-4-cyano-N-(3-morpholinopropyl)benzamide Formula: C22H21BrN4O2S MolecularWeight: 485.39674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1COCCN1CCCN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21BrN4O2S/c23-18-6-7-19-20(14-18)30-22(25-19)27(9-1-8-26-10-12-29-13-11-26)21(28)17-4-2-16(15-24)3-5-17/h2-7,14H,1,8-13H2