3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(3-isopropoxybenzoyl)-1-piperidyl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(3-isopropoxybenzoyl)piperidino]propan-1-one Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)[C@H]2CCCN(C2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H28N2O3S/c1-17(2)30-20-9-5-7-18(15-20)25(29)19-8-6-14-27(16-19)24(28)13-12-23-26-21-10-3-4-11-22(21)31-23/h3-5,7,9-11,15,17,19H,6,8,12-14,16H2,1-2H3/t19-/m0/s1