1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-6,6-bis(4-fluorophenyl)-1-hexanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-6,6-bis(4-fluorophenyl)hexan-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperazino]-6,6-bis(4-fluorophenyl)hexan-1-one Formula: C29H29F2N3OS MolecularWeight: 505.621866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H29F2N3OS/c30-23-13-9-21(10-14-23)25(22-11-15-24(31)16-12-22)5-1-4-8-28(35)33-17-19-34(20-18-33)29-32-26-6-2-3-7-27(26)36-29/h2-3,6-7,9-16,25H,1,4-5,8,17-20H2