1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(2-fluorophenyl)sulfanyl-propan-1-one CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-[(2-fluorophenyl)thio]-1-propanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(2-fluorophenyl)sulfanylpropan-1-one Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-3-[(2-fluorophenyl)thio]propan-1-one Formula: C21H21FN2OS2 MolecularWeight: 400.532643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCSC2=CC=CC=C2F)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCSC2=CC=CC=C2F)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21FN2OS2/c22-16-7-1-3-9-18(16)26-13-11-20(25)24-12-5-6-15(14-24)21-23-17-8-2-4-10-19(17)27-21/h1-4,7-10,15H,5-6,11-14H2/t15-/m0/s1