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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-[(4-methoxyphenyl)amino]piperidin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(4-methoxyanilino)-1-piperidyl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(4-methoxyanilino)-1-piperidinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[(3S)-3-(p-anisidino)piperidino]propan-1-one Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2CCCN(C2)C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)N[C@H]2CCCN(C2)C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c1-27-18-10-8-16(9-11-18)23-17-5-4-14-25(15-17)22(26)13-12-21-24-19-6-2-3-7-20(19)28-21/h2-3,6-11,17,23H,4-5,12-15H2,1H3/t17-/m0/s1