1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfanyl-propan-1-one Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-(4-fluorophenyl)sulfanyl-propan-1-one CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-[(4-fluorophenyl)thio]-1-propanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-(4-fluorophenyl)sulfanylpropan-1-one Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-3-[(4-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=C(C=C2)F)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCSC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4S3

InChI

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