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

Systemtic Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxy-4-propoxy-phenyl)methanone Openeye Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3-methoxy-4-propoxy-phenyl)methanone CAS Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(3-methoxy-4-propoxyphenyl)methanone IUPAC Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3-methoxy-4-propoxyphenyl)methanone Traditional Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-(3-methoxy-4-propoxy-phenyl)methanone Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H26N2O3S/c1-3-13-28-19-11-10-16(14-20(19)27-2)23(26)25-12-6-7-17(15-25)22-24-18-8-4-5-9-21(18)29-22/h4-5,8-11,14,17H,3,6-7,12-13,15H2,1-2H3/t17-/m1/s1