[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone

Systemtic Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone Openeye Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenyl-4-quinolyl)methanone CAS Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone Traditional Name: [4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]-(2-phenyl-4-quinolyl)methanone Formula: C29H26N4OS MolecularWeight: 478.60794

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6

InChI

InChI=1S/C29H26N4OS/c1-2-20-12-13-25-27(18-20)35-29(31-25)33-16-14-32(15-17-33)28(34)23-19-26(21-8-4-3-5-9-21)30-24-11-7-6-10-22(23)24/h3-13,18-19H,2,14-17H2,1H3