1-(2-azanyl-1,3-benzothiazol-6-yl)-2-[4-(phenylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 1-(2-azanyl-1,3-benzothiazol-6-yl)-2-[4-(phenylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 1-(2-amino-1,3-benzothiazol-6-yl)-2-(4-benzyl-1-piperidyl)propan-1-one CAS Name: 1-(2-amino-1,3-benzothiazol-6-yl)-2-[4-(phenylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 1-(2-amino-1,3-benzothiazol-6-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one Traditional Name: 1-(2-amino-1,3-benzothiazol-6-yl)-2-(4-benzylpiperidino)propan-1-one Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N=C(S2)N)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)N=C(S2)N)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c1-15(21(26)18-7-8-19-20(14-18)27-22(23)24-19)25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14-15,17H,9-13H2,1H3,(H2,23,24)