[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone

Systemtic Name: [4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Openeye Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-[2-(2-thienyl)-4-quinolyl]methanone CAS Name: [4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-(2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: [4-(6-bromo-1,3-benzothiazol-2-yl)piperazino]-[2-(2-thienyl)-4-quinolyl]methanone Formula: C25H19BrN4OS2 MolecularWeight: 535.47856

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Br)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CS6

InChI

InChI=1S/C25H19BrN4OS2/c26-16-7-8-20-23(14-16)33-25(28-20)30-11-9-29(10-12-30)24(31)18-15-21(22-6-3-13-32-22)27-19-5-2-1-4-17(18)19/h1-8,13-15H,9-12H2