2-[3-[[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]amino]methyl]phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[3-[[[4-(5-methyl-1,3-benzothiazol-2-yl)phenyl]amino]methyl]phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[3-[[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[3-[[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-[[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[3-[[4-(5-methyl-1,3-benzothiazol-2-yl)anilino]methyl]phenoxy]-1-piperidino-ethanone Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NCC4=CC(=CC=C4)OCC(=O)N5CCCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)C3=CC=C(C=C3)NCC4=CC(=CC=C4)OCC(=O)N5CCCCC5

InChI

InChI=1S/C28H29N3O2S/c1-20-8-13-26-25(16-20)30-28(34-26)22-9-11-23(12-10-22)29-18-21-6-5-7-24(17-21)33-19-27(32)31-14-3-2-4-15-31/h5-13,16-17,29H,2-4,14-15,18-19H2,1H3