4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]-2-propan-2-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine

Systemtic Name: 4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]-2-propan-2-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine Openeye Name: 4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]-2-isopropyl-thiazolo[5,4-b][1,5]benzothiazepine CAS Name: 4-[(3S)-3-[2-(3-fluorophenyl)ethyl]-1-piperazinyl]-2-propan-2-ylthiazolo[5,4-b][1,5]benzothiazepine IUPAC Name: 4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]-2-propan-2-yl-[1,3]thiazolo[5,4-b][1,5]benzothiazepine Traditional Name: 4-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperazino]-2-isopropyl-thiazolo[5,4-b][1,5]benzothiazepine Formula: C25H27FN4S2 MolecularWeight: 466.637083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(S1)SC3=CC=CC=C3N=C2N4CCNC(C4)CCC5=CC(=CC=C5)F

Isomeric SMILES

CC(C)C1=NC2=C(S1)SC3=CC=CC=C3N=C2N4CCN[C@H](C4)CCC5=CC(=CC=C5)F

InChI

InChI=1S/C25H27FN4S2/c1-16(2)24-29-22-23(28-20-8-3-4-9-21(20)31-25(22)32-24)30-13-12-27-19(15-30)11-10-17-6-5-7-18(26)14-17/h3-9,14,16,19,27H,10-13,15H2,1-2H3/t19-/m0/s1