4-(1,3-benzothiazol-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(8-quinolylmethyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(8-quinolinylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(8-quinolylmethyl)piperazino]butan-1-one Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)CCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=C2N=CC=C3)C(=O)CCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H26N4OS/c30-24(12-4-11-23-27-21-9-1-2-10-22(21)31-23)29-16-14-28(15-17-29)18-20-7-3-6-19-8-5-13-26-25(19)20/h1-3,5-10,13H,4,11-12,14-18H2