[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-butoxy-3-methoxy-phenyl)methanone

Systemtic Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-butoxy-3-methoxy-phenyl)methanone Openeye Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-butoxy-3-methoxy-phenyl)methanone CAS Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-butoxy-3-methoxyphenyl)methanone IUPAC Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone Traditional Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-(4-butoxy-3-methoxy-phenyl)methanone Formula: C24H28N2O3S MolecularWeight: 424.55572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C24H28N2O3S/c1-3-4-14-29-20-12-11-17(15-21(20)28-2)24(27)26-13-7-8-18(16-26)23-25-19-9-5-6-10-22(19)30-23/h5-6,9-12,15,18H,3-4,7-8,13-14,16H2,1-2H3/t18-/m1/s1